EPDIC15 - CNR · 2017-03-24 · 4 EPDIC15 - Bari, Italy, 12-15 June 2016EPDIC15 - Bari, Italy,...

Bari, Italy, 12-15 June 2016The Nicolaus Hotel

EPDIC15The European

Powder DiffractionConference

PROGRAM BOOKLET

EPDIC15 - Bari, Italy, 12-15 June 2016

PATRONAGE

Agenzia regionaleper la tecnologiae l’innovazione

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EPDIC15 - Bari, Italy, 12-15 June 2016EPDIC15 - Bari, Italy, 12-15 June 2016

SPONSORS

PLATINUM SPONSORS

COPPER SPONSORS

SPONSORS

Fondazione Puglia

Publication of the EPDIC15Proceedings is sponsored by ICDD

National Research Council of Italy

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EPDIC15 - Bari, Italy, 12-15 June 2016EPDIC15 - Bari, Italy, 12-15 June 2016

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The only lab instrument that does it all

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USAXS, SAXS / WAXS and PDFCovering a q-range of almost fi ve decades - without any gap

USAXS

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SAXS / WAXS

qmin = 0.00036 Å-1

Qmax = 22 Å-1

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COMMITTEES

EPDIC Committee

P. Scardi Trento Italy – Chairman R.J. Cernik Manchester United Kingdom – Vice Chairman A. Altomare Bari Italy N. Audebrand Rennes France P. Bordet Grenoble France M. Brunelli Grenoble France W.I.F. David ISIS, Oxon United KingdomS. Eriksson Göteborg Sweden A.N. Fitch ESRF, Grenoble FranceM. Fransen PANalytical, Almelo The NetherlandsA. Goodwin Oxford United Kingdom A. Guagliardi Como Italy J.E. Jørgensen Aarhus Denmark A. Kern Bruker AXS, Karlsruhe GermanyA. Kremenovic Belgrade Serbia R. Kužel Prague Czech Republic I. Margiolaki Patras Greece A. Neels Dubendorf Switzerland W. Paszkowicz Warsaw Poland D. Rafaja Freiberg Germany J. Rius Barcelona Spain P. Whitfield Ottawa Canada

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COMMITTEES

EPDIC15 Local Organizing Committee

Angela Altomare-Chair Institute of Crystallography, CNR, Bari, Italy

Nicola Corriero Institute of Crystallography, CNR, Bari, Italy

Corrado Cuocci Institute of Crystallography, CNR, Bari, Italy

Aurelia Falcicchio Institute of Crystallography, CNR, Bari, Italy

Anna Moliterni Institute of Crystallography, CNR, Bari, Italy

Rosanna Rizzi Institute of Crystallography, CNR, Bari, Italy

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TABLE OF CONTENTS

WELCOME 12GENERAL INFORMATION 13MEETINGS 16WORKSHOPS 17REGISTRATION 18SCIENTIFIC PROGRAM

Program Overview 19Opening Ceremony 20Plenary Lectures 21Microsymposia 22Lachlan’s Software Fayre 24Closing Ceremony 25

PROGRAM BY DAYSunday, 12 June 26Monday, 13 June 28Tuesday, 14 June 33Wednesday, 15 June 38

SOCIAL AND CULTURAL PROGRAM 44EXHIBITION

List of exhibitors 47Plan of exhibition area 48

Exhibition area 49POSTERS 50

Poster Session PS1, 13 June 51Poster Session PS2, 14 June 78

AUTHOR INDEX 103VENUE 112

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WELCOME

On behalf of the Local Organizing Committee, I am honoured to welcome the participants of the 15th European Powder Diffraction Conference held in Bari 12-15 June 2016.

2016 is a landmark year for powder diffraction history: almost a century has passed since the pioneering works and experiments of Debye, Scherrer, and Hull; fifty years have passed since the first publication of the Rietveld method. In the last century, the developments theoretical, experimental and computational have enabled spectacular and stimulating progress in the field of powder diffraction.

Started in 1991, EPDIC is now the Biennial Conference that brings together scientists and instrumentation companies to brainstorm on the latest trends and challenges in powder diffraction. In agreement with the traditional character of this Conference, EPDIC15 will provide an attractive scientific program covering a wide range of hot topics interesting for powder community.

We have used significant part of the EPDIC15 income to provide grants to students and young researchers in order to encourage their participation in the Conference.

We wish to thank the sponsors and the exhibitors whose participation is vital for the success of the Conference.

We hope that EPDIC15 will be a lively occasion to gather the information of recent progress, share it with others and spread knowledge.

We sincerely hope that you will appreciate the scientific program of EPDIC15 and enjoy our meeting venue, Bari, which is a very beautiful town on the Adriatic Sea coast, offering rich historical background, beauties of the places, fine weather, and genuine hospitality.

Angela Altomare,Chair of EPDIC15

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GENERAL INFORMATION

BadgeYour badge is your admission to the scientific sessions, lunches, coffee breaks and social events. EPDIC15 Participant is kindly requested to wear it at all times at the conference venue.

Certificate of AttendanceRegistered participants will receive a Certificate of Attendance.

ClimateThe climate of Bari is typical Mediterranean, and June is generally sunny. The average maximum temperature in June is 20-25°C.

ContactFor any information regarding registration and administrative handling of the Conference, please contact Stella at the registration desk. For any other information regarding the Conference, please contact members of the local organizing committee.

Secretariat contact:

[email protected]

[email protected]

Conference contact

[email protected]

[email protected]

Currency, credit cards and banking informationThe official currency is Euro. Normal banking hours are from 09:00 am to 4:00 pm on weekdays. Automatic teller machines (ATMs) are available all over the city.

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Food allergy or intoleranceEPDIC15 Participant is kindly requested to indicate any food allergy or intolerance at the registration desk.

Internet accessA purpose-made area with wireless printer, mobile phone chargers and free computers will be available in the conference venue.WI-FI high-speed internet access will be available in the whole conference venue.

LanguageOfficial language of the Conference is English.

LiabilityThe organizers cannot accept liability for injury or damage involving people and property during the Conference. EPDIC15 Participants are advised to take out their own personal travel and health insurance for their trip.

List of participantsA list of pre-registered participants can be required at the registration desk. A complete list of participants will be e-mailed on request after the Conference.

Public transportationBy bus from the vicinity of “Bari Centrale” railway station to the conference venue.The available public transport service lines are (http://www.amtab.it/):

• AMTAB bus Line n. 6 – Stop at Via Matarrese• AMTAB bus Line n. 10 – Stop at Via Matarrese• AMTAB bus Line D – Stop at Via Camillo Rosalba

Please note that you have to buy the ticket in advance (approximately € 1,00).Service starts at 5:00 am and ends at 23:00 pm. Average waiting time is 40-50 minutes.By taxis which are available 24 hours and 7 days all around the city.

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RegistrationThe secretariat desk will be operating at the minus one floor, main hall. Assistance and general information can also be obtained at this desk. Message and daily notices will also be displayed on the notice board close to the secretariat desk.Opening hours:

12 June, Sunday 13:00-19:3013 June, Monday 8:30-18:3014 June, Tuesday 8:30-18:3015 June, Wednesday 8:30-18:00

Registration feeRegistration fee includes: access to the Conference, conference bag and supplies, electronic version on USB key of the conference abstract booklet, welcome buffet on the evening of June 12, lunch and coffee breaks, cultural evening and cocktail on June 13, two-year on-line access at no cost to the conference proceedings published in Powder Diffraction.Registration fee for accompanying persons includes:access to the Conference, conference bag and supplies, welcome buffet on the evening of June 12, lunch and coffee breaks, cultural evening and cocktail on June 13.

Secretariat

Technical equipmentIn every lecture hall a PC, equipped with ‘Microsoft PowerPoint’ and ‘OpenOffice’ is at disposal of the speakers. A technician will be available in each lecture hall to assist speakers and chairs with the presentations.

VenueThe NICOLAUS Hotel, Via Cardinale Agostino Ciasca, 27, Bari, Tel. +39 080 5682111http://www.thenicolaushotel.com/en/

Via Alberotanza, 5 - 70125 BARI (Italy)TEL. +39 080.9905360 • FAX +39 080.9905359 • +39 080.2140203

E-mail: [email protected] - [email protected]

®

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MEETINGS

TOPAS Satellite Meeting The 13th TOPAS Users Meeting

10-12 June first floor, CASSIOPEA room

PANalytical Products & Solutions News

Monday, 13 June, 12:00-13:30 second floor, CIGNO roomLunch offered by PANalytical will be served in the meeting room

Bruker Luncheon

Tuesday, 14 June, 12:00-13:30second floor, CIGNO roomLunch offered by Bruker will be served in the meeting room

EPDIC Committee Meeting

Tuesday, 14 June, 15:30-17:30second floor, CIGNO room

Committee

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WORKSHOPS

ICDD Workshop

Sunday, 12 June, 12:30-16:30

second floor, ORIONE room

Phase Identification and Materials Characterization

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REGISTRATION

SECRETARIAT DESK

minus one floor, main hall

Sunday, 12 June 13:00-19:30

Monday, 13 June 8:30-18:30

Tuesday, 14 June 8:30-18:30

Wednesday, 15 June 8:30-18:00

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SCIENTIFIC PROGRAMPROGRAM OVERVIEW

Sunday 12 June Monday 13 June Tuesday 14 June Wednesday 15 June

PL1

Karena W. Chapman

PL3

Tobias U. Schulli

PL5

Steven Van Petegem

Co�ee Co�ee Co�ee

Lunch

PANalytical Products & Solutions News

Software Fayre

Lunch

Bruker Luncheon

Software Fayre

Lunch

12:30

13:00 Registration

Co�ee

Software Fayre

Poster & Co�ee

Software Fayre

EPDIC Committee Meeting

PL6

Giuseppe Cruciani Opening Ceremony

Opening Lecture H.M. Rietveld

EPDIC AWARDS

Distinguished Powder Di�ractionists Award

Plenary Lecture C. Giacovazzo

Young Scientists Award

Closing Ceremony

PL2

Andrew S. Wills

PL4

Pamela S. Whitfield

Welcome Party Cultural Evening Gala Dinner 19:30-23:00

16:30-19:30

ICDDWorkshop

8:30-9:30

9:30-10:00

10:00-12:00 MS01-Total scattering studiesand disorder

MS11-Structure and propertiesof functional materials

MS02-Structure solution andrefinement

MS10-Neutron structural andmagnetic scattering

Poster & Co�ee

MS04-Combined methods forstructure investigation

and imaging

MS09-Nanomaterials,surfaces and interfaces

MS06-Progress ininstrumentation

MS08-In situ/operando studies

8:30-9:30

9:30-10:00

10:00-12:00

12:00-13:15 12:00-13:30

13:15-15:15

15:15-15:45

15:45-16:45

16:45-18:00

15:30-17:30

13:30-15:30

17:30-18:30

19:30-23:00

Plenary LectureK.M.Ø. Jensen

MS05-Materials for sustainable development

MS12-High pressure di�raction

MS13-Powder di�raction for pharmaceutical industry

MS03-Biological and molecular materials

MS07-Di�raction line profile analysis, stress,

strain and texture

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SCIENTIFIC PROGRAMOPENING CEREMONY

Sunday, 12 June 16:30-19:30 minus one floor, NICOLAUS room

16:30-17:00 Introduction by Angela Altomare (Institute of Crystallography, CNR, Bari, Italy), Chair of EPDIC15Greetings from Paolo Scardi(University of Trento, Italy) Chair of the EPDIC Committee

Greetings from Authorities

17:00-18:00 Opening LectureCelebration of Fifty Years of the Rietveld MethodChair: W.I.F. David (ISIS, Oxon, United Kingdom)H.M. Rietveld (Petten, The Netherlands)A method for using profile intensities in a powder diagram to determine the crystal structure

18:00-18:30

EPDIC Young Scientists Award sponsored by PANalytical given to K.M.Ø. Jensen (University of Copenhagen, Denmark)

EPDIC Distinguished Powder Diffractionists Award sponsored by Bruker given to C. Giacovazzo (Institute of Crystallography, CNR, Bari, Italy)

18:30-19:30 Plenary LectureC. Giacovazzo (Institute of Crystallography, CNR, Bari, Italy)Phasing from Powder Data: EXPO in a dynamic scientific world

WELCOME PARTYSunday, 12 June, 19:30- 23:00minus one floor, exhibition area

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SCIENTIFIC PROGRAMPLENARY LECTURES6 Plenary Lectures (PL) are scheduled.Plenary Lectures will be given at minus one floor, NICOLAUS room

PL1 Chair: Reinhard B. Neder (University of Erlangen-Nürnberg, Germany) Karena W. Chapman (Argonne National Lab, United States of America) X-ray Crystallography at the Energy Frontier Monday, 13 June, 8:30-9:30

PL2 Chair: Juan Rodríguez-Carvajal (Institute Laue Langevin, Grenoble, France) Andrew S. Wills (University College London, United Kingdom) Time reversal – bridging past and future Monday, 13 June, 17:30-18:30

PL3 Chair: Michela Brunelli (SNBL/ESRF, Grenoble, France) Tobias U. Schulli (ESRF, Grenoble, France) Diffraction under imaging conditions: merging reciprocal and real

space Tuesday, 14 June, 8:30-9:30

PL4 Chair: Robert E. Dinnebier (Max Planck Institute for Solid State Research, Stuttgart, Germany)

Pamela S. Whitfield (Oak Ridge National Laboratory, United States of America)

Hybrid perovskite photovoltaics–A comprehensive diffraction analysis Tuesday, 14 June, 17:30-18:30

PL5 Chair: Paolo Scardi (University of Trento, Italy) Steven Van Petegem (SINQ-PSI, Villigen, Switzerland) In situ diffraction under complex loading conditions Wednesday, 15 June, 8:30-9:30

PL6 Chair: Andy Fitch (ESRF, Grenoble, France) Giuseppe Cruciani (University of Ferrara, Italy) Minerals and mineral-inspired Materials for Sustainable applications Wednesday, 15 June, 15:45-16:45

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SCIENTIFIC PROGRAMMICROSYMPOSIA

13 MicroSymposia (MS) are scheduled.

Chairs decide the number of keynote lectures (KN) and shorter oral presentations (O) in their MS. Anyway, it is advisable to set two keynote lectures of 30 minutes and three shorter oral presentations of 20 minutes in such a way that all MS have the same timetable and the conference participant is able to switch from one MS to the other one in parallel. Submitted abstracts not selected for oral presentations should be presented as posters (P) in the associated poster session.

MS11 Structure and properties of functional materials Chairs: A. Neels (Empa, Swiss Federal Laboratories for Materials

Science and Technology, Dubendorf, Switzerland) K. Ståhl (Technical University of Denmark, Denmark) Monday, 13 June, 10:00-12:00 - minus one floor, NICOLAUS room

MS01 Total scattering studies and disorder Chairs: A. Goodwin (University of Oxford, United Kingdom) A. Guagliardi (Institute of Crystallography, CNR, Como, Italy) Monday, 13 June, 10:00-12:00 - second floor, ORIONE room

MS02 Structure solution and refinement Chairs: L.B. McCusker (Stockholm University, Sweden) J. Rius (Institut de Ciència de Materials de Barcelona, CSIC, Spain) Monday, 13 June, 13:30-15:30 - minus one floor, NICOLAUS room

MS10 Neutron structural and magnetic scattering Chairs: W.I.F. David (ISIS, Oxon, United Kingdom) J.-E. Jørgensen (Aarhus University, Denmark) Monday, 13 June, 13:30-15:30 - second floor, ORIONE room

MS09 Nanomaterials, surfaces and interfaces Chairs: D. Rafaja (Technical University Bergakademie Freiberg, Germany) E. Bozin (Brookhaven National Laboratory, United States of America) Tuesday, 14 June, 10:00-12:00 - minus one floor, NICOLAUS room

MS04 Combined methods for structure investigation and imaging Chairs: R.J. Cernik (University of Manchester, United Kingdom) J. Wright (ESRF, Grenoble, France) Tuesday, 14 June, 10:00-12:00 - second floor, ORIONE room

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MS08 In situ/operando studies Chairs: C. Weidenthaler (Max Planck Institute Kohlenforschung,

Mulheim an der Ruhr, Germany) W. van Beek (SNBL/ESRF, Grenoble, France) Tuesday, 14 June, 13:30-15:30 - minus one floor, NICOLAUS room

MS06 Progress in instrumentation Chairs: A. Fitch (ESRF, Grenoble, France) A. Lausi (ELETTRA, Trieste, Italy) Tuesday, 14 June, 13:30-15:30 - second floor, ORIONE room

MS07 Diffraction line profile analysis, stress, strain and texture Chairs: A. Leineweber (Max Planck Institute for Intelligent Systems,

Stuttgart, Germany) D. Chateigner (University of Caen, France) Wednesday, 15 June, 10:00-12:00 - minus one floor, NICOLAUS room

MS03 Biological and molecular materials Chairs: I. Margiolaki (University of Patras, Greece) C. Tedesco (University of Salerno, Italy) Wednesday, 15 June, 10:00-12:00 - second floor, ORIONE room

MS13 Powder diffraction for pharmaceutical industry Chairs: F. Gozzo (Excelsus Structural Solution S.P.R.L., Brussels, Belgium) S. Nicolopoulos (NanoMEGAS S.P.R.L., Brussels, Belgium) Wednesday, 15 June, 13:15-15:15 - minus one floor, NICOLAUS room

MS05 Materials for sustainable development Chairs: R. Černý (University of Geneva, Switzerland) G. Rousse (University of Paris VI, France) Wednesday, 15 June, 13:15-15:15 - second floor, ORIONE room

MS12 High pressure diffraction Chairs: W. Paszkowicz (University of Warsaw, Poland) G.D. Gatta (University of Milan, Italy) Wednesday, 15 June, 13:15-15:15 - second floor, CIGNO room

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SCIENTIFIC PROGRAMLACHLAN’S SOFTWARE FAYRE

The Software Fayre is dedicated to the memory of the late Lachlan Cranswick.

The Software Fayre is organized for the demonstration of free and/or open-source software used for the analysis of powder diffraction data.

Lachlan’s Software Fayre will be given at second floor, AURIGA room (13 June, 14 June).

Monday, 13 June 12:00-13:30Monday, 13 June 16:00-17:30Tuesday, 14 June 12:00-13:30Tuesday, 14 June 16:00-17:30

Contact: Dr. Corrado Cuocci ([email protected])

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SCIENTIFIC PROGRAMCLOSING CEREMONY

Wednesday, 15 June, 16:45- 18:00

minus one floor, NICOLAUS room

16:45-17:45 Plenary LectureK.M.Ø. Jensen (University of Copenhagen, Denmark) EPDIC Young Scientists Award sponsored by PANalytical Total Scattering and Nanostructure Analysis for Materials Chemistry

17:45-18:00 Best Poster Awards sponsored by the Institute of Crystallography of the National Research Council, of Bari (Italy) and Presentation of the EPDIC16 Conference

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PROGRAM BY DAYSUNDAY, 12 JUNE (AFTERNOON)

12:30-16:30second floor, ORIONE room

ICDD WorkshopPhase Identification and Materials Characterization

13:00-19:30

minus one floor, main hall

Registration16:30-19:30

minus one floor, NICOLAUS roomOpening Ceremony

16:30-17:00 Introduction by Angela Altomare, Chair of EPDIC15Greetings from Paolo Scardi, Chair of the EPDIC CommitteeGreetings from Authorities

17:00-18:00 Opening LectureCelebration of Fifty Years of the Rietveld MethodChair: W.I.F. David (United Kingdom)H.M. Rietveld (The Netherlands)A method for using profile intensities in a powder diagram to determine the crystal structure

18:00-18:30 EPDIC Young Scientists Awardsponsored by PANalyticalgiven to K.M.Ø. Jensen (Denmark)

EPDIC Distinguished Powder Diffractionists Awardsponsored by Bruker given to C. Giacovazzo (Italy)

18:30-19:30 Plenary LectureC. Giacovazzo (Institute of Crystallography, CNR, Bari, Italy) Phasing from Powder Data: EXPO in a dynamic scientific world

19:30-23:00 Welcome Party

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PROGRAM BY DAYSUNDAY, 12 JUNE (AFTERNOON)

ICDD WORKSHOP

12:30-16:30 second floor, ORIONE room Phase Identification and Materials Characterization

REGISTRATION

13.00-19:30 minus one floor, main hall

OPENING CEREMONY

16:30-19:30 minus one floor, NICOLAUS room

16:30-17:00 Introduction by Angela Altomare (Institute of Crystallography, CNR, Bari, Italy), Chair of EPDIC15

Greetings from Paolo Scardi (University of Trento, Italy), Chair of the EPDIC Committee

Greetings from Authorities

17:00-18:00 Opening LectureCelebration of Fifty Years of the Rietveld Method

Chair: W.I.F. David (ISIS, Oxon, United Kingdom) H.M. Rietveld (Petten, The Netherlands)A method for using profile intensities in a powder diagram to determine the crystal structure

18:00-18:30 EPDIC Young Scientists Award sponsored by PANalytical given to K.M.Ø. Jensen (University of Copenhagen, Denmark)

EPDIC Distinguished Powder Diffractionists Award sponsored by Bruker given to C. Giacovazzo (Institute of Crystallography, CNR, Bari, Italy)

18:30-19:30 Plenary LectureC. Giacovazzo (Institute of Crystallography, CNR, Bari, Italy)Phasing from Powder Data: EXPO in a dynamic scientific world

WELCOME PARTY

19:30-23:00 minus one floor, exhibition area

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PROGRAM BY DAYMONDAY, 13 JUNE

8:30-9:30 PL1 minus one floor, NICOLAUS room Karena W. Chapman, Chair: R.B. Neder

9:30-10:00 minus one floor, exhibition area, Coffee break

Microsymposium MS11 Microsymposium MS01

10:00-12:00Parallel Sessions

minus one floor, NICOLAUS room

MS11 Structure and properties of functional materials

ChairsA. Neels, K. Ståhl



MS01 Total scattering studies and disorder

ChairsA. Goodwin, A.Guagliardi

10:00-10:30 KN1 R. Černý (Switzerland) 10:00-10:30 KN1 M. Zobel (Denmark)

10:30-11:00 KN2 M. Bremholm (Denmark) 10:30-10:55 KN2 F. Bertolotti (Italy)

11:00-11:20 O1 A. Bombardi (United Kingdom) 10:55-11:20 KN3 P. Scardi (Italy)

11:20-11:40 O2 R. Caliandro (Italy) 11:20-11:40 O1 M.J. Cliffe (United Kingdom)

11:40-12:00 O3 J. Wind (Australia) 11:40-12:00 O2 K.H. Stone (United States of America)

12:00-13:30 first floor, Cassiopea room, Lunchsecond floor, CIGNO room, PANalytical Products & Solutions News

(Lunch offered by PANalytical will be served in the meeting room)

second floor, AURIGA room, Lachlan’s Software Fayre


13:30-15:30 minus one floor, NICOLAUS room

MS02 Structure solution and refinement

Chairs L.B. McCusker, J. Rius


MS10 Neutron structural and magnetic scattering

ChairsW.I.F. David, J.-E. Jørgensen

13:30-14:00 KN1 J.L. Jorda (Spain) P. Manuel (United Kingdom)

14:00-14:30 KN2 W.I.F. David (United Kingdom) M. Christensen (Denmark)

14:30-14:50 O1 M.J. Spillman (United Kingdom) P.F. Henry (Sweden)

14:50-15:10 O2 I.S. Bushmarinov (Russia) N. Barrier (France)

15:10-15:30 O3 P. Jacobs (Germany) G. Rousse (France)

15:30-17:30 minus one floor, exhibition area, Coffee breakminus one floor, poster area, Poster Session PS1

(MS01, MS02, MS03, MS10, MS11, MS13)

16:00-17:30 second floor, AURIGA room, Lachlan’s Software Fayre17:30-18:30 PL2 minus one floor, NICOLAUS room

Andrew S. Wills, Chair: J. Rodríguez-Carvajal

19:30-23:00 Cultural Evening

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PROGRAM BY DAYMONDAY, 13 JUNE (MORNING)

8:30-9:30 PL1 Plenary Lecture minus one floor, NICOLAUS roomChair: R.B. Neder (University of Erlangen-Nürnberg, Germany) Karena W. Chapman (Argonne National Lab, United States of America) X-ray Crystallography at the Energy Frontier


Microsymposium MS11

10:00-12:00 minus one floor, NICOLAUS room MS11 Structure and properties of functional materials Chairs: A. Neels (Empa, Swiss Federal Laboratories for Materials Science and Technology, Dubendorf, Switzerland) K. Ståhl (Technical University of Denmark, Denmark)

10:00-10:30 KN1 R. Černý (University of Geneva, Switzerland) Designing hydroborates for battery materials and hydrogen storage using crystal chemistry knowledge of oxides

10:30-11:00 KN2 M. Bremholm (Aarhus University, Denmark)Structure-Property Relations of Perovskites - Polymorphism and High Pressure Studies of Iridates

11:00-11:20 O1 A. Bombardi (Diamond Light Source, Oxfordshire, United Kingdom) Phase symmetry and negative thermal expansion in hybrid improper ferroelectric Ruddlesden-Popper perovskites

11:20-11:40 O2 R. Caliandro (Institute of Crystallography, CNR, Bari, Italy)Static and dynamic characterization of structural changes in vapochromic compounds

11:40-12:00 O3 J. Wind (University of Sydney, Australia) Stabilizing the fast ion conducting delta phase of bismuth oxide via mixed valence transition metal doping

12:00-13:30

12:00-12:45

12:45-13:30

first floor, Cassiopea room, Lunch second floor, CIGNO room, PANalytical Products & Solutions News (Lunch offered by PANalytical will be served in the meeting room)

second floor, AURIGA room, Lachlan’s Software Fayre: Mantid (P.F. Peterson)

Fox (R. Černý )

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PROGRAM BY DAYMONDAY, 13 JUNE (MORNING)

8:30-9:30 PL1 Plenary Lectureminus one floor, NICOLAUS room Chair: R.B. Neder (University of Erlangen-Nürnberg, Germany) Karena W. Chapman (Argonne National Lab, United States of America) X-ray Crystallography at the Energy Frontier


Microsymposium MS01

10:00-12:00 second floor, ORIONE room MS01 Total scattering studies and disorder Chairs: A. Goodwin (University of Oxford, United Kingdom) A. Guagliardi (Institute of Crystallography, CNR, Como, Italy)

10:00-10:30 KN1 M. Zobel (Aarhus University, Denmark) Solvent nanoparticle interfaces

10:30-10:55 KN2 F. Bertolotti (University of Insubria and To.Sca.Lab, Como, Italy) New Insights on the Organic-to-Inorganic Ligand Exchange in Colloidal PbS QDs through the Debye Function Analysis

10:55-11:20 KN3 P. Scardi (University of Trento, Italy) Vibrational dynamics of nanocrystals from the Debye Scattering Equation

11:20-11:40 O1 M.J. Cliffe (University of Cambridge, United Kingdom)Correlated defects in hafnium and zirconium MOFs

11:40-12:00 O2 K.H. Stone (SSRL Materials Science Division, SLAC National Accelerator Laboratory, United States of America)Influence of initial amorphous structure on the in-situ crystallization of metastable thin films

12:00-13:30

12:00-12:45

12:45-13:30

first floor, Cassiopea room, Lunch second floor, CIGNO room, PANalytical Products & Solutions News (Lunch offered by PANalytical will be served in the meeting room)second floor, AURIGA room, Lachlan’s Software Fayre:

Mantid (P.F. Peterson)

Fox (R. Černý)

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PROGRAM BY DAYMONDAY, 13 JUNE (AFTERNOON)

Microsymposium MS02

13:30-15:30 minus one floor, NICOLAUS room MS02 Structure solution and refinement Chairs: L.B. McCusker (Stockholm University, Sweden) J. Rius (CSIC, Barcelona, Spain)

13:30-14:00 KN1 J.L. Jorda (University of Valencia, Spain) Structure determination of novel zeolitic materials

14:00-14:30 KN2 W.I.F. David (ISIS, Oxon, United Kingdom) Modelling molecular disorder: combining powder diffraction and computational modelling techniques

14:30-14:50 O1 M.J. Spillman (University of Reading, United Kingdom) More power and more information: accelerating crystal structure determination from powder diffraction data

14:50-15:10 O2 I.S. Bushmarinov (Institute of Organoelement Compounds RAS, Moscow, Russia)Reliable structures from Rietveld refinements

15:10-15:30 O3 P. Jacobs (Aachen University, Germany) Refining angular-and wavelength-dispersive neutron time-of-flight powder-diffraction data

15:30-17:30 minus one floor, exhibition area, Coffee break minus one floor, poster area, Poster Session PS1 (MS01, MS02, MS03, MS10, MS11, MS13)

16:00-17:30

16:00-16:45

16:45-17:30

second floor, AURIGA room, Lachlan’s Software Fayre: SUNBIM (D. Siliqi)

EXPO2014 (A. Falcicchio)

17:30-18:30 PL2 Plenary Lecture minus one floor, NICOLAUS room Chair: J. Rodríguez-Carvajal (Institute Laue Langevin, Grenoble, France) Andrew S. Wills (University College London, United Kingdom) Time reversal – bridging past and future

19:30-23:00 CULTURAL EVENING

32


PROGRAM BY DAYMONDAY, 13 JUNE (AFTERNOON)

Microsymposium MS10

13:30-15:30 second floor, ORIONE room MS10 Neutron structural and magnetic scattering Chairs: W.I.F. David (ISIS, Oxon, United Kingdom) J.-E. Jørgensen (Aarhus University, Denmark)

13:30-14:00 KN1 P. Manuel (ISIS, Oxon, United Kingdom) Magnetic neutron diffraction: tackling hard cases

14:00-14:30 KN2 M. Christensen (Aarhus University, Denmark) HEIMDAL: Neutron powder diffractometer with extended length scale for ESS

14:30-14:50 O1 P.F. Henry (European Spallation Source ERIC, Lund, Sweden) Characterization of cation ordering, oxygen vacancy distribution and proton sites in hexagonal and cubic BaTi1-xScxO3-δ

14:50-15:10 O2 N. Barrier (Laboratoire CRISMAT, CNRS ENSICAEN, Caen, France) Magnetic state changes in the Co5-xZnxTeO8 spinel family

15:10-15:30 O3 G. Rousse (Collège de France, Paris, France) Nuclear and magnetic structures of iron oxalate tetrahydrate, and its capability of Li insertion

15:30-17:30 minus one floor, exhibition area, Coffee break minus one floor, poster area, Poster Session PS1 (MS01, MS02, MS03, MS10, MS11, MS13)

16:00-17:30

16:00-16:45

16:45-17:30

second floor, AURIGA room, Lachlan’s Software Fayre: SUNBIM (D. Siliqi)

EXPO2014 (A. Falcicchio)

17:30-18:30 PL2 Plenary Lecture minus one floor, NICOLAUS room Chair: J. Rodríguez-Carvajal (Institute Laue Langevin, Grenoble, France) Andrew S. Wills (University College London, United Kingdom) Time reversal – bridging past and future

19:30-23:00 CULTURAL EVENING

33


PROGRAM BY DAYTUESDAY, 14 JUNE

8:30-9:30 PL3 minus one floor, NICOLAUS room Tobias U. Schulli, Chair: M. Brunelli




minus one floor, NICOLAUS room MS09 Nanomaterials,

surfaces and interfaces Chairs

D. Rafaja, E. Bozin

second floor, ORIONE roomMS04 Combined methods for structure

investigation and imaging Chairs

R.J. Cernik, J. Wright

10:00-10:30 KN1 V. Holý (The Czech Republic) 10:00-10:30 KN1 H. Birkedal (Denmark)

10:30-10:50 O1 A. Neels (Switzerland) 10:30-11:00 KN2 S. Haigh (United Kingdom)

10:50-11:10 O2 M. Dapiaggi (Italy) 11:00-11:20 O1 G. Nénert (The Netherlands)

11:10-11:30 O3 A. Benediktovitch (Belarus) 11:20-11:40 O2 N. Barrier (France)

11:30-12:00 KN2 A. Lappas (Greece) 11:40-12:00 O3 S.D.M. Jacques(United Kingdom)

12:00-13:30 first floor, Cassiopea room, Lunchsecond floor, CIGNO room, Bruker Luncheon

(Lunch offered by Bruker will be served in the meeting room)second floor, AURIGA room, Lachlan’s Software Fayre


13:30-15:30 minus one floor, NICOLAUS roomMS08 In situ/operando studies

ChairsC. Weidenthaler, W. van Beek

second floor, ORIONE room MS06 Progress in instrumentation

ChairsA. Fitch, A. Lausi

13:30-14:00 KN1 D. Koziej (Switzerland) C.C. Tang (United Kingdom)

14:00-14:30 KN2 M. Di Michiel (France) W. Schweika (Germany, Sweden)

14:30-14:50 O1 D.S. Wragg (Norway) P.A. Chater (United Kingdom)

14:50-15:10 O2 M.T. Dunstan (United Kingdom) D. Šišak Jung (Switzerland)

15:10-15:30 O3 C. Kouvatas (France) M. Abdellatief (Jordan)

15:30-17:30 minus one floor, exhibition area, Coffee breakminus one floor, poster area, Poster Session PS2

(MS04, MS05, MS06, MS07, MS08, MS09, MS12)

second floor, CIGNO room, EPDIC Committee Meeting16:00-17:30 second floor, AURIGA room, Lachlan’s Software Fayre

17:30-18:30 PL4 minus one floor, NICOLAUS roomPamela S. Whitfield, Chair: R.E. Dinnebier

19:30-23:00 Gala Dinner

34


PROGRAM BY DAYTUESDAY, 14 JUNE (MORNING)

8:30-9:30 PL3 Plenary Lecture minus one floor, NICOLAUS room Chair: M. Brunelli (SNBL/ESRF, Grenoble, France) Tobias U. Schulli (ESRF, Grenoble, France) Diffraction under imaging conditions: merging reciprocal and real space


Microsymposium MS09

10:00-12:00 minus one floor, NICOLAUS room MS09 Nanomaterials, surfaces and interfacesChairs: D. Rafaja (Technical University Bergakademie Freiberg, Germany) E. Bozin (Brookhaven National Laboratory, United States of America)

10:00-10:30 KN1 V. Holý (Charles University, Prague, The Czech Republic) High-resolution x-ray diffraction from random layered structures

10:30-10:50 O1 A. Neels (Empa Swiss Federal Laboratories for Materials Science and Technology, Dubendorf, Switzerland) Advanced in- and out-of-plane HRXRD studies on complex thin film systems

10:50-11:10 O2 M. Dapiaggi (University of Milan, Italy) May a local lower symmetry distortion be responsible for the stabilisation of pure nano-zirconia?

11:10-11:30 O3 A. Benediktovitch (Atomicus OOO, Minsk, Belarus) X-ray diffraction analysis of misfit dislocations if SiGe/Si thin layers: the role of finite thickness on dislocation induced peak shape

11:30-12:00 KN2 A. Lappas (FORTH-IESL, Crete, Greece) Multicomponent Colloidal Nanocrystals: a Toolbox of Versatile Functionality

12:00-13:30

12:00-12:45

12:45-13:00

13:00-13:30

first floor, Cassiopea room, Lunch second floor, CIGNO room, Bruker Luncheon (Lunch offered by Bruker will be served in the meeting room)

second floor, AURIGA room Lachlan’s Software Fayre:Qualx2.0 (N. Corriero)

FPSM (L. Lutterotti)

RootProf (R. Caliandro)

35


PROGRAM BY DAYTUESDAY, 14 JUNE (MORNING)

8:30-9:30 PL3 Plenary Lecture minus one floor, NICOLAUS room Chair: M. Brunelli (SNBL/ESRF, Grenoble, France) Tobias U. Schulli (ESRF, Grenoble, France) Diffraction under imaging conditions: merging reciprocal and real space


Microsymposium MS04

10:00-12:00 second floor, ORIONE room MS04 Combined methods for structure investigation and imaging Chairs: R.J. Cernik (University of Manchester, United Kingdom) J. Wright (ESRF, Grenoble, France)

10:00-10:30 KN1 H. Birkedal (Aarhus University, Denmark) Diffraction Scattering Computed Tomography: Peering into Complex Materials

10:30-11:00 KN2 S. Haigh (University of Manchester, United Kingdom) Exploring the limits of 2D and 3D analytical scanning transmission electron microscopy with application to nanoparticle catalysts and 2D crystal devices

11:00-11:20 O1 G. Nénert (PANalytical B.V., Almelo, The Netherlands) Crystal structure of hydrated fluorides MF2.4H2O (M = Zn, Ni, Co): a combined approach

11:20-11:40 O2 N. Barrier (Laboratoire CRISMAT, Caen, France) Incommensurate structure of the ferroelastic compound α-CaTe2O5, solved from the technic’s combination of electron diffraction tomography with powder X-ray and neutron diffraction

11:40-12:00 O3 S.D.M. Jacques (University College London, United Kingdom) Real time chemical imaging

12:00-13:30

12:00-12:45

12:45-13:00

13:00-13:30

first floor, Cassiopea room, Lunch second floor, CIGNO room, Bruker Luncheon(Lunch offered by Bruker will be served in the meeting room)

second floor, AURIGA room, Lachlan’s Software Fayre: Qualx2.0 (N. Corriero)

FPSM (L. Lutterotti)

RootProf (R. Caliandro)

36


PROGRAM BY DAYTUESDAY, 14 JUNE (AFTERNOON)

Microsymposium MS0813:30-15:30 minus one floor, NICOLAUS room

MS08 In situ/operando studies Chairs: C. Weidenthaler (Max Planck Inst Kohlenforschung, Mulheim an der Ruhr, Germany) W. van Beek (SNBL/ESRF, Grenoble, France)

13:30-14:00 KN1 D. Koziej (ETH Zurich, Switzerland) From nanoparticles synthesis in solution to functional devices – A perspective based on in situ X-ray absorption, emission and diffraction studies

14:00-14:30 KN2 M. Di Michiel (ESRF, Grenoble, France)In situ/operando characterization of working systems by high energy x-ray diffraction

14:30-14:50 O1 D.S. Wragg (University of Oslo, Norway) How Crystallite Size Controls Reaction Path in Sodium Ion Batteries: Revealed By In Operando XRD/XAS

14:50-15:10 O2 M.T. Dunstan (University of Cambridge, United Kingdom) In situ studies of CaO for high-temperature CO2 capture and storage

15:10-15:30 O3 C. Kouvatas (CNRS-ENSCR-Université de Rennes 1, France)Combining in situ XRPD and solid state NMR to study ω-VOPO4 among industrial vanadium phosphate catalysts

15:30-17:30 minus one floor, exhibition area, Coffee break minus one floor, poster area, Poster Session PS2 (MS04, MS05, MS06, MS07, MS08, MS09, MS12) second floor, CIGNO room, EPDIC Committee Meeting

16:00-17:30

16:00-16:45

16:45-17:30

second floor, AURIGA room Lachlan’s Software Fayre:DebUsSy (R. Frison)

Maud (L. Lutterotti)

17:30-18:30 PL4 Plenary Lecture minus one floor, NICOLAUS room Chair: R.E. Dinnebier (Max Planck Institute for Solid State Research, Stuttgart, Germany) Pamela S. Whitfield (Oak Ridge National Laboratory, United States of America) Hybrid perovskite photovoltaics–A comprehensive diffraction analysis

19:30-23:00 GALA DINNER

37


PROGRAM BY DAYTUESDAY, 14 JUNE (AFTERNOON)

Microsymposium MS0613:30-15:30 second floor, ORIONE room

MS06 Progress in instrumentation Chairs: A. Fitch (ESRF, Grenoble, France) A. Lausi (ELETTRA, Trieste, Italy)

13:30-14:00 KN1 C.C. Tang (Diamond Light Source, Didcot, United Kingdom) New Synchrotron Facility for Long Duration Experiments at Diamond Light Source

14:00-14:30 KN2 W. Schweika (Forschungszentrum Jülich, Germany; ESS, Sweden) DREAM: The new neutron powder diffractometer at the ESS

14:30-14:50 O1 P.A. Chater (Diamond Light Source, Didcot, United Kingdom) XPDF: The New X-ray Pair Distribution Function Beamline at Diamond Light Source

14:50-15:10 O2 D. Šišak Jung (DECTRIS Ltd., Baden-Daettwil, Switzerland) Large-area CdTe pixel detectors for high-energy X-ray diffraction applications

15:10-15:30 O3 M. Abdellatief (SESAME Synchrotron light for Experimental Science and Applications in the Middle East, Allan, Jordan) The SESAME Materials Science Beamline

15:30-17:30 minus one floor, exhibition area, Coffee breakminus one floor, poster area, Poster Session PS2 (MS04, MS05, MS06, MS07, MS08, MS09, MS12)

second floor, CIGNO room, EPDIC Committee Meeting16:00-17:30

16:00-16:45

16:45-17:30

second floor, AURIGA room, Lachlan’s Software Fayre: DebUsSy (R. Frison)

Maud (L. Lutterotti)

17:30-18:30 PL4 Plenary Lecture minus one floor, NICOLAUS room Chair: R.E. Dinnebier (Max Planck Institute for Solid State Research, Stuttgart, Germany) Pamela S. Whitfield (Oak Ridge National Laboratory, United States of America)Hybrid perovskite photovoltaics–A comprehensive diffraction analysis

19:30-23:00 GALA DINNER

38


PROGRAM BY DAY WEDNESDAY, 15 JUNE8:30-9:30 PL5 minus one floor, NICOLAUS room

Steven Van Petegem, Chair: P. Scardi


Microsymposium MS07 Microsymposium MS0310:00-12:00

Parallel Sessions

minus one floor, NICOLAUS roomMS07 Diffraction line profile

analysis, stress, strain and texture Chairs

A. Leineweber, D. Chateigner

10:00-12:00 Parallel

Sessions

second floor, ORIONE room MS03 Biological and molecular

materials Chairs

I. Margiolaki, C. Tedesco

10:00-10:30 KN1 L. Lutterotti (Italy) 10:00-10:20 KN1 R.E. Dinnebier (Germany)

10:20-10:40 KN2 D. Beckers (The Netherlands)10:30-11:00 KN2 J. Keckes (Austria) 10:40-11:00 KN3 J. Rodríguez-Carvajal (France)

11:00-11:20 O1 M. Hinterstein (Germany, Australia)

11:00-11:20 O1 C. Cappuccino (Italy)

11:20-11:40 O2 J.P. Cline (United States of America)

11:20-11:40 O2 F. Karavassili (Greece)

11:40-12:00 O3 C. Perez Demydenko (Italy) 11:40-12:00 O3 T. Kimura (Japan)

12:00-13:15 first floor, Cassiopea room, Lunch

Microsymposium MS13 Microsymposium MS05 Microsymposium MS1213:15-15:15 minus one floor,

NICOLAUS room MS13 Powder diffraction

for pharmaceutical industry Chairs

F. Gozzo, S. Nicolopoulos


MS05 Materials for sustainable development

Chairs R. Černý, G. Rousse

second floor, CIGNO room

MS12 High pressure diffraction

ChairsW. Paszkowicz, G.D. Gatta

13:15-13:45 KN1 A. Grandeury (Switzerland)

M. Casas–Cabanas (Spain)

L. Dubrovinsky (Germany)

13:45-14:15 KN2 M.A. Neumann (Germany) Y. Filinchuk (Belgium) W.A. Crichton (France)14:15-14:35 O1 H. Novoa de Armas

(Belgium) S. Vankova (Italy) N. Casati (Switzerland)

14:35-14:55 O2 U. Kolb (Germany) A.-L. Hansen (Germany) P.G. Yot (France)14:55-15:15 O3 A. Valmas (Greece) M.H. Sørby (Norway) B. Joseph (Italy)


15:45-16:45 PL6 minus one floor, NICOLAUS room Giuseppe Cruciani, Chair: A. Fitch

16:45-18:00 Closing Ceremony Plenary Lecture: K.M.Ø. Jensen (University of Copenhagen, Denmark)

EPDIC Young Scientists Award sponsored by PANalytical Total Scattering and Nanostructure Analysis for Materials Chemistry

Best Poster Awards sponsored by the Institute of Crystallography of CNR, Bari (Italy)Presentation of the EPDIC16 Conference

39


PROGRAM BY DAYWEDNESDAY, 15 JUNE (MORNING)

8:30-9:30 PL5 Plenary Lecture minus one floor, NICOLAUS room Chair: P. Scardi (University of Trento, Italy) Steven Van Petegem (SINQ-PSI, Villigen, Switzerland) In situ diffraction under complex loading conditions


Microsymposium MS07

10:00-12:00 minus one floor, NICOLAUS room MS07 Diffraction line profile analysis, stress, strain and texture Chairs: A. Leineweber (Max Planck Institute for Intelligent Systems, Stuttgart, Germany) D. Chateigner (University of Caen, France)

10:00-10:30 KN1 L. Lutterotti (University of Trento, Italy) Texture and Stress combined analysis using 2D detectors

10:30-11:00 KN2 J. Keckes (University of Leoben, Austria) Sub-50nm X-ray Beam Powder Diffraction for Cross-Sectional Microstructure and Stress Analysis in Thin Films

11:00-11:20 O1 M. Hinterstein (Karlsruher Institut für Technologie, Germany; Materials Science and Engineering, The University of New South Wales, Sydney, Australia) Determining fundamental properties from diffraction: electric field induced strain and piezoelectric coefficient

11:20-11:40 O2 J.P. Cline (NIST, Gaithersburg, MD, United States of America) Certification of SRM 1979; Line Profile Standard for Analysis of Crystallite Size

11:40-12:00 O3 C. Perez Demydenko (University of Trento, Italy) Line broadening effect of nanocrystals surface


40


PROGRAM BY DAYWEDNESDAY, 15 JUNE (MORNING)

8:30-9:30 PL5 Plenary Lecture minus one floor, NICOLAUS room Chair: P. Scardi (University of Trento, Italy) Steven Van Petegem (SINQ-PSI, Villigen, Switzerland) In situ diffraction under complex loading conditions


Microsymposium MS03

10:00-12:00 second floor, ORIONE room MS03 Biological and molecular materialsChairs: I. Margiolaki (University of Patras, Greece) C. Tedesco (University of Salerno, Italy)

10:00-10:20 KN1 R.E. Dinnebier (Max Planck Institute for Solid State Research, Stuttgart, Germany) Revealing the secrets of molecular materials by powder diffraction

10:20-10:40 KN2 D. Beckers (PANalytical B.V., Almelo, The Netherlands) Humidity Induced Phase Transitions of HEWLysozyme Investigated by Microcrystalline Powder Diffraction

10:40-11:00 KN3 J. Rodríguez-Carvajal (Institut Laue Langevin, Grenoble, France)MolPDF: Restrained G(r)-Refinement for Molecular Compounds

11:00-11:20 O1 C. Cappuccino (University of Bologna, Italy) One molecule, four colours: remarkable behaviour of 2,3-thieno(bis)imide based molecule which presents four different polymorphs with dramatic different emissions

11:20-11:40 O2 F. Karavassili (University of Patras, Greece) Structure solution of an insulin complex through X-ray Powder Diffraction

11:40-12:00 O3 T. Kimura (Kyoto University, Japan) X-Ray Diffraction from Perfectly Textured Powders


41


PROGRAM BY DAYWEDNESDAY, 15 JUNE (AFTERNOON)

Microsymposium MS13

13:15-15:15 minus one floor, NICOLAUS room MS13 Powder diffraction for pharmaceutical industry Chairs: F. Gozzo (Excelsus Structural Solution S.P.R.L., Brussels, Belgium) S. Nicolopoulos (NanoMEGAS S.P.R.L., Brussels, Belgium)

13:15-13:45 KN1 A. Grandeury (Novartis Pharma, Basel, Switzerland) Nanocrystalline, mesomorphous and amorphous API: an alternative to crystalline APIs

13:45-14:15 KN2 M.A. Neumann (Avant-garde Materials Simulation, Freiburg, Germany) Crystal structure prediction as a structure solution tool

14:15-14:35 O1 H. Novoa de Armas (Johnson & Johnson Pharmaceutical Research & Development, a division of Janssen, Beerse, Belgium) Pharmaceutical Polymorphism: The Whats, The Whys and The Hows

14:35-14:55 O2 U. Kolb (Johannes Gutenberg University, Mainz, Germany) Automated Electron Diffraction Tomography (ADT) on small organic molecular crystals

14:55-15:15 O3 A. Valmas (University of Patras, Greece) Protein-based drug screening: The case of human insulin


15:45-16:45 PL6 Plenary Lecture minus one floor, NICOLAUS room Chair: A. Fitch (ESRF, Grenoble, France) Giuseppe Cruciani (University of Ferrara, Italy) Minerals and mineral-inspired Materials for Sustainable applications

Closing Ceremony minus one floor, NICOLAUS room

16:45-17.45 Plenary LectureK.M.Ø. Jensen (University of Copenhagen, Denmark) EPDIC Young Scientists Award sponsored by PANalytical Total Scattering and Nanostructure Analysis for Materials Chemistry

17:45-18.00 Best Poster Awards sponsored by the Institute of Crystallography of the National Research Council, of Bari (Italy)

Presentation of the EPDIC16 Conference

42


PROGRAM BY DAY

WEDNESDAY, 15 JUNE (AFTERNOON)

Microsymposium MS05

13:15-15:15 second floor, ORIONE room MS05 Materials for sustainable development Chairs: R. Černý (University of Geneva, Switzerland) G. Rousse (University of Paris VI, France)

13:15-13:45 KN1 M. Casas–Cabanas (CIC Energigune, Miñano, Álava, Spain) The FAULTS program: understanding microstructure in energy materials

13:45-14:15 KN2 Y. Filinchuk (University of Louvain, Belgium) Powder Diffraction to Study Chemistry of Hydrogen-Rich Systems

14:15-14:35 O1 S. Vankova (University of Turin, Italy) Manganese containing silicates as high capacity cathode materials for advanced lithium ion batteries

14:35-14:55 O2 A.-L. Hansen (Christian-Albrechts-University, Kiel, Germany) Chalcogenide based thermoelectric materials – Microstructure and thermoelectric performance

14:55-15:15 O3 M.H. Sørby (Physics Department, Institute for Energy Technology, Norway) Rare-earth borohydrides – crystal structures and in-situ characterization





17:45-18:00 Best Poster Awards sponsored by the Institute of Crystallography of the National Research Council, of Bari (Italy)


43


PROGRAM BY DAY

WEDNESDAY, 15 JUNE (AFTERNOON)

Microsymposium MS12

13:15-15:15 second floor, CIGNO room MS12 High pressure diffraction Chairs: W. Paszkowicz (University of Warsaw, Poland) G.D. Gatta (University of Milan, Italy)

13:15-13:45 KN1 L. Dubrovinsky (University of Bayreuth, Germany) Structural Studies at Multimegabar Pressures and High Temperatures

13:45-14:15 KN2 W.A. Crichton (ESRF, Grenoble, France) Angle-dispersive data collections from the large-volume press at ID06, ESRF

14:15-14:35 O1 N. Casati (PSI, Villigen, Switzerland) Kinetic control of phase transitions via variable pressure increase rate

14:35-14:55 O2 P.G. Yot (University of Montpellier, France) High-pressure behavior of the flexible MIL-53 Metal-Organic Frameworks under different conditions: a subtle experimental modeling joint approach

14:55-15:15 O3 B. Joseph (Elettra Sincrotrone, Trieste, Italy) Status of the dedicated high pressure diffraction beamline “Xpress” at Elettra Sychrotron Trieste





17:45-18:00 Best Poster Awards sponsored by the Institute of Crystallography of the National Research Council, of Bari (Italy)


44


SOCIAL AND CULTURAL PROGRAMWELCOME PARTY

Sunday, 12 June, 19:30-23:00

minus one floor, exhibition area

CULTURAL EVENING

Monday, 13 June, 19:30-23:00

All participants are invited to the Cultural Event.

19:30 Bus transportation to Bari old town

20:00 Concert in the Basilica of Saint Nicholas by

Quattro Quarti String Ensemble

The string ensemble "Quattro Quarti", characterized by musical freshness and great passion, consists of young musicians who brilliantly graduated at the Conservatories of Bari and Matera.Following the concert, drinks will be served to all conference attendants in the wonderful square in front of the Basilica.It is nice to walk to the winding, narrow streets, typical of Bari Vecchia, nearest to the Basilica.The lanes of souvenir shops of Bari Vecchia are the most touristy.

23:00 Return by bus to the Conference Hotel

45


GALA DINNER

Tuesday, 14 June, 19:30-23:00

The gala dinner fee is € 45,00

Gala Dinner will take place at Hotel Salsello Restaurant, located on the sea near the nice town of Bisceglie, 35km in the North of Bari.

In case of nice weather, dinner will be served along the beach in a beautiful atmosphere, typical of Southern Italy.

46


OPTIONAL TOURS

• Monday, 13 June, BARI and POLIGNANO A MARE

Fee guided tour: € 60,00 (VAT included)

• Tuesday, 14 June, CASTEL DEL MONTE and TRANI


• Wednesday, 15 June, ALBEROBELLO and OSTUNI


47


EXHIBITIONLIST OF EXHIBITORS

48


EXHIBITIONPLAN OF EXHIBITION AREA

POSTER AREA

THE NICOLAUS ROOM(LECTURE ROOM 1)

SEC

RET

AR

IAT

DES

KTH

E EX

HIB

ITIO

NA

REA

(CO

FFEE

BR

EAK

S)

THE EXHIBITION AREA(COFFEE BREAKS)

ENTRANCE

BOOTH1 BOOTH

2BOOTH3

BOOTH4

BOOTH5

BOOTH6

BOOTH7

BOOTH11

BOOTH12

BOOTH8

BOOTH9

BOOTH10

ENTRANCE

ENTRANCE

ENTRANCE

EMERGENCYEXIT

W.C.

EXHIBITORS LIST1

6

45

32

PANALYTICAL

BRUKER

INCOATEC

DECTRIS

HUBER

OXFORD CRYOSYSTEMS

9101112

78

ICDD

ICDD

RIGAKU

STOE

SIETRONICS

THERMO FISHER SCIENTIFIC

THE NICOLAUS HOTEL-1 FLOOR PLAN

49


EXHIBITION AREA

50


POSTERS

minus one floor, poster area

There are two poster sessions:

Poster Session PS1: Monday, 13 June 15:30–17:30 Poster Session PS2: Tuesday, 14 June 15:30–17:30

Session PS1 gathers all posters from MICROSYMPOSIA MS1, MS2, MS3, MS10, MS11, MS13. Posters from session PS1 can be installed starting Monday morning after the coffee break and will have to be removed at the end of the session or before the coffee break of Tuesday morning.

Session PS2 gathers all posters from MICROSYMPOSIA MS4, MS5, MS6, MS7, MS8, MS9, MS12. Posters from session PS2 can be installed starting Tuesday morning after the coffee break and will have to be removed at the end of the session or before the coffee break of Wednesday morning.

Posters dimensions should be height 119 cm & width 84 cm.

Authors of posters are kindly requested to stay near their poster for discussion during the sessions.

Each poster should be fixed on the panel identified by a poster number provided in this Program booklet.

Poster presenters may receive information at the registration desk about the exact place of their posters and/or any further detail.

Mounting material will be available in the poster area.

No responsibility will be taken for posters not removed by the times stated.

Best Poster Awards

The EPDIC15 will award the two best posters at the Conference: the Young Scientist Best Poster and the Senior Scientist Best Poster.

The awards are sponsored by the Institute of Crystallography of the National Research Council, of Bari (Italy).

The award criteria are both scientific content and design.

The winners will be formally announced during the Closing Ceremony.

51


POSTERSPOSTER SESSION PS1: MS01, MS02, MS03, MS10, MS11, MS13 Monday, 13 June, 15:30 – 17:30minus one floor, poster area

MS01-Total scattering studies and disorder

MS01-P01M. Brunelli a, M.D. Riktor b, H. Emerich a

aSwiss-Norwegian Beamlines SNBL at ESRF, Grenoble, France bInstitute for Energy Technology, Norway

PDF experiments at the Swiss-Norwegian Beamlines (SNBL)E-mail: [email protected]

MS01-P02C. Hennig a,b, S. Weiss a, A. Ikeda-Ohno a, A.C. Scheinost a,b, H. Zänker a

aHelmholtz-Zentrum Dresden-Rossendorf, Institute of Resource Ecology, Dresden, Germany bEuropean Synchrotron Radiation Facility, BM20, Grenoble, France

Structural information from total scattering on thorium/silica nanoparticlesE-mail: [email protected]

MS01-P03A. Bernasconi a, M. Dapiaggi b, A. Pavese b, G. Agostini a, D. Bowron c, S. Ceola d, S. Maurina d

aESRF – The European Synchrotron bEarth Science Department, Università degli Studi di Milano, Italy cISIS Facility – STFC, Didcot, United Kingdom dStazione Sperimentale del Vetro, Murano, Italy

Structure-properties relationship in aluminosilicate glasses E-mail: [email protected]

MS01-P04C.S. Coates a, V.E. Fairbank a, A.L. Thompson b, R.I. Cooper b, E. Spencer c, N.L. Ross c, B. Slater d, A.L. Goodwin a

aDepartment of Chemistry, University of Oxford, Inorganic Chemistry Laboratory, OX1 3QR, UK bDepartment of Chemistry, University of Oxford, Chemistry Research Laboratory, OX1 3TA, UK cDepartment of Geosciences, Virginia Tech, Derring Hall, Blacksburg, VA 24061, USA dDepartment of Chemistry, University College London, WC1H 0AJ, UK

Diffuse scattering and anomalous lattice dynamics in cadmium cyanideE-mail: [email protected]

52


MS01-P05K. Ufer a, R. Kleeberg b

aFederal Institute for Geosciences and Natural Resources, Germany bTU Bergakademie Freiberg, Germany

Rietveld refinement of stacking disorder in trioctahedral phyllosilicatesE-mail: [email protected]

MS01-P06M. Yavuz a,b, M. Knapp a,b, S. Indris a,b, M. Hinterstein a,d, W. Donner c, H. Ehrenberg a,b

aInstitute for Applied Materials (IAM), Karlsruhe Institute of Technology(KIT), 76344 Eggenstein-Leopoldshafen, Germany bHelmholtz Institute Ulm for Electrochemical Energy Storage (HIU), PO Box 3640, Karlsruhe D-76021, Germany cDepartment of Materials Science, Technische Universität Darmstadt, Alarich-Weiss-Strasse 2, Darmstadt D-64287, Germany dSchool of Materials Science and Engineering, UNSW Australia, Sydney 2052, Australia

X-ray Total Scattering Investigation of Al0.57Sn0.43O1.71 nanoparticlesE-mail: [email protected]

MS01-P07S.R. Bajpe a, H. Geddes a, A. Goodwin a

aInorganic Chemistry Laboratory, University of Oxford, UK

Room temperature synthesis of HKUST-1: A Pair Distribution Function StudyE-mail: [email protected]

MS01-P08K. Page, H.-W. Wang, L. Daemen, A. Stack

Following the precipitation and transformation of calcium carbonates in situE-mail: [email protected]

MS01-P09E.S. Bozin a, M. Shatnawi b, J.F. Mitchell c, S.J.L. Billinge a,d

aCondensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, USAbDepartment of Physics, The Hashemite University, Zarqa, JordancMaterials Science Division, Argonne National Laboratory, USAdDepartment of Applied Physics and Applied Mathematics, Columbia University, New York, USA

Non Percolative Nature of the Metal-Insulator Transition and Persistence of Local Jahn-Teller Distortions in the Rhombohedral Regime of La1-xCaxMnO3

E-mail: [email protected]

53


MS01-P10A.A. Coelho a, J.S.O. Evans b, J.W. Lewis b

a72 Cedar Street, Wynnum, 4178, Brisbane, AustraliabDepartment of Chemistry, University Science Site, Durham University, South Road, Durham, DH1 3LE, UK

A 10,000 speedup in Rietveld refinement Stacking fault analysisE-mail: [email protected]

MS01-P11D. Prill a, P. Juhás b, S.J.L. Billinge b,c, M.U. Schmidt a

aInstitute of Inorganic and Analytical Chemistry, Goethe University, Frankfurt am Main, GermanybCondensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, New York 11973, USAcDepartment of Applied Physics and Applied Mathematics, Columbia University, New York 10027, USA

Crystal structure refinement of flexible organic molecules by fitting to the atomic pair distribution functionE-mail: [email protected]

MS01-P12M. Evans a, C. Drathen a, A. Kern a

aBruker AXS, Karlsruhe, Germany

PDF Analysis with TOPAS v6 E-mail: [email protected]

MS01-P13R. Haberkorn a, J. Bauer a, G. Kickelbick a

aUniversität des Saarlandes, Saarbrücken, Germany

Ideal Stoichiometry, Anion Defects and Compounds of the Apatite Structure FamilyE-mail: [email protected]

MS01-P14S. Bette a, R.E. Dinnebier b

aInstitut of Inorganic Chemistry, TU Bergakademie Freiberg, Germany bMax Planck Institute for Solid State Research, Stuttgart, Germany

Structure solution and refinement of stacking faulted NiCl(OH)E-mail: [email protected]

54


MS01-P15P.M.M. Thygesen a, J.A.M. Paddison a,b,c, R. Zhang b, K.A. Beyer d, K.W. Chapman d, H.Y. Playford b, M.G. Tucker b, D.A. Keen b, M.A. Hayward a, A.L. Goodwin a

aDepartment of Chemistry, University of Oxford, UK bISIS Facility, Didcot, UK cSchool of Physics, Georgia Institute of Technology, USA dAdvanced Photon Source, Argonne, USA

Orbital Dimer model for Spin-Glass State in Y2Mo2O7 E-mail: [email protected]

MS01-P16M. Feygenson a

aJülich Center for Neutron Science, Forschungszentrum Jülich, Jülich, Germany

Average and Local Crystal Structures of (Ga1-xZnx)(N1-xOx) Solid Solution NanoparticlesE-mail: [email protected]

MS01-P17M. Dopita a, Z. Matěj b, R. Kužel a, A. Salomon c, D. Rafaja c

aDepartment of Condensed Matter Physics, Faculty of Mathematics and Physics, Charles University in Prague, Czech Republic bMax IV Laboratory, Lund University, Lund, Sweden cInstitute of Materials Science, TU Bergakademie Freiberg, Freiberg, Germany

Whole powder pattern fitting of mixtures of turbostratic carbon nanomaterials with crystalline phases E-mail: [email protected]

MS01-P18M. Sommariva a, N. Dadivanyan a, M. Gateshki a, C. Reiss a, E. Casini b, L. Lukashuk c, K. Föttinger c, G. Rupprechter c

aPANalytical BV, Almelo, The Netherlands bPANalytical S.r.l., Lissone, Milano, Italy cInstitute of Materials Chemistry, Technische Universität Wien, Austria

Application of X-ray total scattering for the structural characterization of supported catalysts E-mail: [email protected]

MS01-P19M. Coduri a, M. Scavini b, M. Brunelli c, S. Checchia b

aESRF, The European Synchrotron, Grenoble, France bDepartment of Chemistry, University of Milan, Italy cSwiss Norwegian beamlines SNBL-ESRF, Grenoble, France

Squeezing multiscale defect structures out of powder diffraction: the case of doped ceriaE-mail: [email protected]

55


MS02-Structure solution and refinement

MS02-P01S. Habermehl a, L. Totzauer a, P. Wallrafen a, M.U. Schmidt a

aGoethe University, Frankfurt am Main, Germany

Structure determination from scratch from unindexed powder patterns with the program FIDEL using cross-correlation functions


MS02-P02

Marwène Oumezzine a, F.J. Mompean b, M. García Hernández b, Mohamed Oumezzine a

aLaboratoire Physico-chimie des Matériaux, Département de Physique, Faculté des Sciences de Monastir, 5019 Monastir, Université de Monastir, TunisiabInstituto de Ciencia de Materiales de Madrid, CSIC, Sor Juana Inés de la Cruz s/n, 28049 Madrid, Spain

Effect of Cr3+ substituted La0.67Ba0.33MnO3 Nanocrystalline synthesized by modified Pechini MethodE-mail: [email protected]

MS02-P03

M. François a, R. Sibille b

aInstitut Jean Lamour, Université de Lorraine, Nancy, FrancebLaboratory for Scientific Developments and Novel Materials, Paul Scherrer Institut, Villigen, Switzerland

Mn(H2O)1.5(C14H8O4), a magnetic MOF with a double inorganic sub-networkE-mail: [email protected]

MS02-P04

C. Schlesinger a, S.M. Hammer b, M.U. Schmidt a

aInstitut of Inorganic and Analytical Chemistry, Goethe University, Frankfurt am Main, Germany bDean’s Office, FB 14, Goethe University, Frankfurt am Main, Germany

Rietveld refinements and lattice-energy minimizations of the disordered pigment monomethyl-quinacridone E-mail: [email protected]

56


MS02-P05F.N. Costa a, T.F. da Silva b, L.M. Lima b, E.J. Barreiro b, F.F. Ferreira a

aCentro de Ciências Naturais e Humanas, Universidade Federal do ABC, Santo André, SP, Brazil bLASSBio, Federal University of Rio de Janeiro, Rio de Janeiro, RJ, Brazil

Structural evaluation of the influence of methylation in cyclohexyl-N-acylhydrazones derivativesE-mail: [email protected]

MS02-P06S. Canossa a, A. Bacchi a, C. Graiff a, P. Pelagatti a, G. Predieri a, L. Fink b, M.U. Schmidt b aDipartimento di Chimica, Università degli studi di Parma, Parma, Italy bInstitut für Anorganische und Analytische Chemie, Goethe Universität, Frankfurt am Main, Germany

Pursuing structural knowledge in crystalline phases of methylene blueE-mail: [email protected]

MS02-P07A.N. Zaloga a, P.S. Dubinin a, I.S. Yakimov a

aSiberian Federal University

Using a parallel computing based on genetic algorithms for the determination of crystal structures from x-ray powder diffraction dataE-mail: [email protected]

MS02-P08J. Rius a, C. Frontera a, A. Crespi a, O. Vallcorba b

aInstitut de Ciència de Materials de Barcelona (CSIC), Catalonia, Spain bAlba Synchrotron, Bellaterra, Spain

tts-microdiffraction data from multigrain 2D patterns: powder cluster-based vs single-crystal-like intensities E-mail: [email protected]

MS02-P09H. Gies a, B. Yilmaz b, T. De Baerdemaeker c, M. Feyen d, X. Meng e, F.-S. Xiao e, D. De Vos c, U. Müller d

aRuhr-Universität Bochum, Bochum, 44780, Germany bBASF Corporation, Chemicals Research and Engineering, Iselin, NJ 08830, USA cCentre for Surface Chemistry and Catalysis, KU Leuven, Kasteelpark Arenberg 23, 3001, Leuven, Belgium dBASF SE, Chemicals Research and Engineering, 67056, Ludwigshafen, Germany eZhejiang University, 310028, Hangzhou, China

Crystal structure analysis of the zeolites Me-IEZ-RUB-36 using low resolution powder X-ray dataE-mail: [email protected]

57


MS02-P10S. Podchezertsev a,b, A. Malyshev b, E. Tserkovnaya b, A. Kurbakov a,b

aFaculty of physics, Saint Petersburg State University, Saint Petersburg, Russia bNRC “Kurchatov Institute” Petersburg Nuclear Physics Institute, Saint Petersburg, Russia

Structural features of layered honeycomb antimonates Na3Co2SbO6 and Li3Ni2SbO6


MS02-P11J.W. Lewis a, J.L. Payne a, I.R. Evans a, H.T. Stokes b, B.J. Campbell b, J.S.O. Evans a

aDepartment of Chemistry, University Science Site, Durham University, South Road, Durham, DH1 3LE, UK bBrigham Young University, Department of Physics and Astronomy, Provo, Utah 84602, USA

Exhaustive Symmetry Mode Refinements of Group-Subgroup Trees: Understanding Structural Phase Transitions in Pyrochlore Bi2Sn2O7 E-mail: [email protected]

MS02-P12J. Podwórny a, A. Pawełek a

aInstitute of Ceramics and Building Materials, Refractory Materials Division, Poland

Crystal structure of 15R-AlON, Al5O3N3


MS02-P13A. Falcicchio a, A. Altomare a, N. Corriero a, C. Cuocci a, A. Moliterni a, R. Rizzi a aInstitute of Crystallography (IC), National Research Council, Bari, Italy

EXPO the computing program from indexing to structure solution by powder diffraction dataE-mail: [email protected]

MS02-P14A. Kheireddine a, M. Tridane a,b, M. Belhabra a, I. Fahim a, H. Moutaabbid c, H. Moutaabbid a, S. Belaaouad a

aLaboratory of chemistry and physic of materials, University Hassan II - Casablanca, Morocco bMinéralogie, de Physique des Matériaux, et de Cosmochimie (IMPMC), University Paris 06, France cCentre Régional des métiers d’enseignement et de formation Casablanca, Maroc

Chemical preparation, crystallographic characterization and vibrational study of condensed phosphates associated to Barium-Cesium BaCs(P3O9)2.2H2O E-mail: [email protected]

58


MS02-P15J. Kim a, S.-C. Kim a, B.S. Son a, J.H. Kim a, J.-Y. Kim b, S.-J. Kim a

aDepartment of Energy Systems Research, Ajou University, 443-749, KoreabIcheon Branch, Korea Institute of Ceramic Engineering and Technology, Icheon 467-843,Korea

Porcelain Raw Materials and Their Phase-Evolution during Firing Process Investigated by Using Rietveld Quantitative AnalysisE-mail: [email protected]

MS02-P16F. Fanelli a,b, C. Cuocci a, A. Falcicchio a, A. Altomare a, F. Ciriaco c

aInstitute of Crystallography (IC), National Research Council, Bari, Italy bDepartment of Pharmacy – Drug Science, University of Bari, Italy cDepartment of Chemistry, University of Bari, Italy

Combined X-ray Powder Diffraction Data and Quantum-Chemical Calculations in EXPO2014E-mail: [email protected]

MS02-P17N. Corriero a, A. Altomare a, C. Cuocci a, A. Falcicchio a, A. Moliterni a, R. Rizzi a aInstitute of Crystallography (IC), National Research Council, Bari, Italy

QUALX2.0 a qualitative phase analysis softwareE-mail: [email protected]

MS02-P18F.J. Martínez-Casado a, M. Ramos-Riesco b, J.A.R. Cheda b, M.I. Redondo Yélamos b

aMAX IV Laboratory – Lund University, Lund, Sweden bFaculty of Chemistry, University Complutense of Madrid, Spain

Polymorphism, monotropic and enantiotropic, in metal soaps (lithium, copper, lead) by powder diffractionE-mail: [email protected]

MS02-P19B. Negri a,b, M. Leoni b, G. Pepponi c, L. Vanzetti c, R. Ben Hassen a

aUnité de Recherche de Chimie des Matériaux et de l’Environnement (UR11ES25), ISSBAT, Université de Tunis El ManarbDepartment of Civil, Environmental and Mechanical Engineering, University of Trento, Italy cCenter for Materials and Microsystems, Fondazione Bruno Kessler, Trento, Italy

Synthesis and structural characterization of LaSrAl1-xCux O4-δ 0.1 ≤ x ≤ 0.9E-mail: [email protected]

59


MS02-P20S.J. Cho a, S. Chang a

aDepartment of Chemical Engineering, Chonnam National University, Korea

Structure determination of novel as-made AlPO, PST-5 using powder chargeflip method combined with Focus algorithm E-mail: [email protected]

MS02-P21S. Smeets a, L.B. McCusker a, C. Baerlocher a, D. Xie b, S.I. Zones b, S.A. Elomari baDepartment of Material and Environmental Chemistry, University of Stockholm, SEbChevron ETC, USA

Locating organic guests in inorganic host materials from X-ray powder diffraction dataE-mail: [email protected]

MS02-P22O. Vallcorba a, Ll. Casas b, F. Colombo c, J. Rius c

aALBA Synchrotron Light Source, Cerdanyola del Vallès, Barcelona, 08920, SpainbDepartament de Geologia, Universitat Autònoma de Barcelona, Bellaterra, Catalonia, 08193, SpaincInstitut de Ciència de Materials de Barcelona, CSIC, Campus de la UAB, Bellaterra, Catalonia, 08193, Spain

Improving synchrotron tts microdiffraction data from polished thin sections on glass-substrates E-mail: [email protected]

MS02-P23A. Mikhalychev a, A. Ulyanenkov b

aAtomicus OOO, Minsk, Belarus bAtomicus GmbH, Karlsruhe, Germany

Bayesian approach to phase identification from powder diffraction data E-mail: [email protected]

MS02-P24K. Sugimoto a, S. Kawaguchi a, M. Takemoto a

aResearch & Utilization Division, Japan Synchrotron Radiation Research Institute, JAPAN

Structural characterization of co-crystal caffeine with dicarboxylic acid from powder diffractionE-mail: [email protected]

60


MS02-P25L. Eriksson a, P.-E. Werner a

aDepartment of Materials and Environmental Chemistry, Stockholm University, Sweden

Structures from direct space approach combined with DFT calculationsE-mail: [email protected], [email protected]

MS02-P26W. Lasocha a,b, M. Grzesiak b, A. Rafalska-Lasocha a, M. Oszajca a

aFaculty of Chemistry, Jagiellonian University, Krakow, Poland bJerzy Haber Institute of Catalysis and Surface Chemistry PAS, Krakow, Poland

Coordination polymers – new hopes and old troublesE-mail: [email protected]

MS02-P27R. Oishi-Tomiyasu a,b

aFaculty of Science, Yamagata University, Yamagata, Japan bJST Presto, Saitama, Japan

Application of a new trend in convex optimization to identification of atomic species from diffraction patterns E-mail: [email protected]

MS02-P28D. Rafaja a, C. Wüstefeld a, G. Abrasonis b, S. Bräunig a, C. Baehtz b, M. Dopita c, M. Krause b, S. Gemming b

aInstitute of Materials Science, TU Bergakademie Freiberg, Germany bHelmholtz-Zentrum Dresden-Rossendorf, Dresden, Germany cDepartment of Condensed Matter Physics, Charles University Prague, Czech Republic

Formation and high-temperature stability of metastable (Cr,Zr)2O3/(Zr,Cr)O2 nanocompositesE-mail: [email protected]

MS02-P29P.S. Haddad a, G.F.L. Pereira a, F.N. Costa b, F.F. Ferreira b

aDepartamento de Ciências Extas e da Terra, Universidade Federal de São Paulo, Diadema, SP, Brazil bCentro de Ciências Naturais e Humanas, Universidade Federal do ABC, Santo André, SP, Brazil

Structural and Magnetic Properties of Magnetite Nanoparticles Covered with Hydrophobic and Hydrophilic LigandsE-mail: [email protected]

61


MS02-P30M. Oszajca a, W. Łasocha a,b, G. Matveeva c, U. Kolb c

aFaculty of Chemistry, Jagiellonian University, Kraków, Poland bJerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences, Kraków, Poland cInstitute of Physical Chemistry, Johannes Gutenberg University, Mainz, Germany

New polyoxomolybdates from powder diffraction data - problems and solutionsE-mail: [email protected]

MS02-P31A. Marchoud a, R. Tigha a, R. Fakhreddine a, H. bellefqih a, N. Boudar a, M. Mellouk a, A. Aatiq a

aDépartement de Chimie, Laboratoire de Physico-Chimie des Matériaux Appliqués, Université HassanII de Casablanca, Faculté des Sciences Ben M’Sik, Avenue Idriss El harti, B.P. 7955, Casablanca, Morocco

Structural and spectroscopic study of the two M0.50SbFe(PO4)3 (M = Mg, Ni) Nasicon phasesE-mail: [email protected]

MS02-P32L. Gigli a, R. Arletti b, F. Di Renzo c, S. Quartieri d aElettra Sincrotrone Trieste, Basovizza TS, Italy bDepartment of Earth Science, University of Turin, Italy cInstitut Charles Gerhardt, Montpellier, France dDepartment of physics and Earth Science, University of Messina, Messina S. Agata, Italy

Evidence of the formation of stable CO2 hydrates in zeolite Na-Y: Structural characterization by synchrotron X-ray powder diffractionE-mail: [email protected]

62


MS03-Biological and molecular materials

MS03-P01S. Fili a, A. Valmas a, M. Christopoulou a, B. Coutard b, A. Fitch c, J. Wright c, D. Beckers d, T. Degen d, G. Nenert d, E. Rosmaraki a, F. Karavassili a, I. Margiolaki a aDepartment of Biology, Section of Genetics, Cell Biology and Development, University of Patras, Greece bArchitecture et Fonction des Macromolécules Biologiques, CNRS and Universités d’Aix-Marseille I et II, France cEuropean Synchrotron Radiation Facility, Grenoble, France dPANalytical B.V, Almelo, Netherlands

Structural determination of Coxsackievirus B3 protease 3C via XRPDE-mail: [email protected]

MS03-P02G. Pierri a, E. Macedi a, A. Meli a, F. De Riccardis a, I. Izzo a, V.J. Smith b, L.J. Barbour b, A.N. Fitch c, C. Drathen c, C. Tedesco a

aDipartimento di Chimica e Biologia, Università degli Studi di Salerno, Fisciano, Italy bDepartment of Chemistry and Polymer Science, University of Stellenbosch, Stellenbosch, South Africa cESRF,Grenoble, France

Polymorphic behaviour of a highly hydrate cyclic peptoidE-mail: [email protected]

MS03-P03F. Rizzelli a, E. Macedi a, I. Izzo a, F. De Riccardis a, A.N. Fitch b, C. Tedesco a

aDipartimento di Chimica e Biologia “A. Zambelli”, Università degli Studi di Salerno, Fisciano, Italy bESRF, Grenoble, France

Following A Molecular Water Mill By Variable Temperature XRPDE-mail: [email protected]

MS03-P04L. Guénée a, B. Golesorkhi b, C. Piguet b

aLaboratory of crystallography, DQMP, University of Geneva, Switzerland bDepartment of Inorganic Chemistry, University of Geneva, Switzerland

Solvent free solid state synthesis of lanthanide complexesE-mail: [email protected]

63


MS03-P05G. Gallo a, A. Meli a, E. Macedi a, F. De Riccardis a, I. Izzo a, V.J. Smith b, L.J. Barbour b, A.N. Fitch c, C. Drathen c, C. Tedesco a

aDipartimento di Chimica e Biologia, Università degli Studi di Salerno, Fisciano, ItalybDepartment of Chemistry and Polymer Science, University of Stellenbosch, Stellenbosch, South Africa cESRF, Grenoble, France

The effect of purification procedures on the polymorphism of a cyclic peptoidE-mail: [email protected]

64


MS10-Neutron structural and magnetic scattering

MS10-P01P.S. Whitfield a, A. Huq a, B. Vacaliuc a, P.F. Peterson a

aSpallation Neutron Source, Oak Ridge, USA

Time & Temperature Slicing Event-Mode Time-of-Flight Neutron Diffraction Data E-mail: [email protected]

MS10-P02A. Lappas a, E. Aza a,b, E. Bozin c, A. Zorko d, D. Arcon d, A.M. Abakumov e, M. Ciomaga Hatnean f, G. Balakrishnan f

aInstitute of Electronic Structure and Laser, FORTH, Heraklion, Greece bDepartment of Materials Science and Engineering, University of Ioannina, Greece cCondensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, USA dJožef Stefan Institute, Ljubljana, Slovenia eEMAT, University of Antwerp, Belgium fDepartment of Physics, University of Warwick, UK

Frustration-induced Structural Complexity in Layered Rock-Salt ManganitesE-mail: [email protected]

MS10-P03A.M.M. Abeykoon a, E.S. Bozin b, W.-G. Yin b, G. Gu b, J.P. Hill a, J.M. Tranquada b, S.J.L. Billinge b,c

aPhoton Sciences Division, Brookhaven National Laboratory bCondensed Matter Physics and Materials Science Department, Brookhaven National Laboratory cApplied Physics and Applied Mathematics Department, Columbia University

Characterization of charge stripes in in La1.67Sr0.33NiO4 using neutron powder diffractionE-mail: [email protected]

MS10-P04J. Kim a, K. Kang b

aNeutron Intrumentation Division, Korea Atomic Energy Research Institute, Daejoen, Republic of Korea bDepartment of Material Science and Engineering, Seoul National University, Republic of Korea

Na7V3(P2O7)4; New cathode material for Na ion batteriesE-mail: [email protected]

65


MS10-P05S. Lee a

aNeutron Science Division, HANARO, Korea Atomic Energy Research Institute, Daejeon, Korea

Local structure change of an electrode material induced by the spin orderingE-mail: [email protected]

MS10-P06E.M. Reynolds a,b, G.J. Thorogood c, B.J. Kennedy a, F. Poineau d, K.R. Czerwinski d aSchool of Chemistry, University of Sydney, Australia bInorganic chemistry laboratory, University of Oxford, UK (current address) cInstitute of Materials, ANSTO, Australia dDepartment of Radiochemistry, UNLV, United States

Structure-property relationships of Tc-containing perovskite oxidesE-mail: [email protected]

MS10-P07N. Matsubara a,b, N. Barrier a, F. Fauth c, F. Damay b, C. Martin a

aCRISMAT UMR 6508, ENSICAEN, 6Bd Ml Juin, 14050 CAEN Cedex, France bLaboratoire Léon Brillouin, UMR 12, CEA-Saclay, 91191 GIF-sur-YVETTE, France cSynchrotron ALBA, Carretera BP 1413, 08290 Cerdanyola del Vallès, Barcelona, SpainTrirutiles as new potential multiferroicsE-mail: [email protected]

66


MS11-Stucture and properties of functional materials

MS11-P01M. Mahdi a, W. Oueslati a, A. Ben Haj Amara a

aPMLNMH, Faculté des Sciences de Bizerte, Zarzouna 7021, Tunisia

Effect of the calcinations temperature, the Si/Al ratio and the reaction kinetic on the hydrothermal synthesize process of geopolymer E-mail: [email protected]

MS11-P02B. Gržeta a, M. Vrankić a, D. Lützenkirchen-Hecht b, S. Bosnar c, A. Šarić c

aDivision of Materials Physics and cDivision of Materials Chemistry, Ruđer Bošković Institute, Zagreb, Croatia bFachbereich C – Physik, Bergische Universität Wuppertal, Wuppertal, Germany

Structural Investigations of Cr-Doped Barium AluminateE-mail: [email protected]

MS11-P03S. Ortatatli a, J. Ternieden a, C. Weidenthaler a

aMax-Planck-Institut für Kohlenforschung, Mülheim an der Ruhr, Germany

Phase Transitions of LaCoO3 Perovskites Studied by In-Situ XRPDE-mail: [email protected]

MS11-P04T. Goryczka a, K. Dudek a

aInstitute of Materials Science, University of Silesia, Chorzow, Poland

Structure of multi-functional calcium phosphates/TiO2 layers deposited on NiTi shape memory alloy E-mail: [email protected]

MS11-P05T. Málek a, S. Daniš a, L. Matějová b, M. Cerhová c

aDepartment of Condensed Matter Physics, Faculty of Mathematics and Physics, Charles University in Prague, Ke Karlovu 5, 121 16 Prague 2, Czech Republic bInstitute of Environmental Technologies, Technical University of Ostrava, 17.listopadu 15/2172, CZ -708 33 Ostrava - Poruba, Czech Republic cInstitute of Chemical Process Fundamentals of the CAS, v. v. i., Rozvojova 2/135, CZ-165 02, Prague 6 – Suchdol, Czech Republic

Amorphous phase content determination in TiO2 thin film using the PONKCS approachE-mail: [email protected]

67


MS11-P06Y.J. Sohn a,b, T. Reppert a,b, D. Sebold a,b, M. Finsterbusch a,b, O. Guillon a,b

aForschungszentrum Jülich GmbH, Institute of Energy and Climate Research, Materials Synthesis and Processing (IEK-1), 52425 Jülich, Germany bJülich Aachen Research Alliance: JARA Energy, Germany

Neutron powder diffraction study of high Li-ion conductive Li7-xAlxLa3Zr2O12 E-mail: [email protected]

MS11-P07D.V. Deyneko a, I.A. Leonidov b, O.I. Leonidova b, S.Yu. Stefanovich a, B.I. Lazoryak a

aDepartment of Chemistry, Lomonosov Moscow State University, Russia bInstitute of Solid-State Chemistry, Russian Academy of Science, Urals Branch

Structural dependence on ferroelectric properties in whitlockite-type phosphates Ca9–xPbxHo(PO4)7


MS11-P08M. Hoelzel a, M. Hinterstein b,c, P. Kadletz d, W.M. Gan e, Ch. Randau f, W.W. Schmahl d aHeinz Maier-Leibnitz Zentrum (MLZ), Technische Universität München, Garching, Germany bMaterials Science and Engineering, The University of New South Wales, Sydney, Australia cInstitut für Angewandte Materialien (IAM), Karlsruher Institut für Technologie (KIT)dDepartment für Geo- und Umweltwissenschaften, Ludwig-Maximilians Universität München, Germany eInstitute of Materials Research, Helmholtz-Centre Geesthacht, Germany fGeoscience Centre, Georg-August University Göttingen, D-37077Göttingen, Germany.

Diffraction studies on functional materials under electric field and mechanical stress – analysis of phase transitions, texture and strainE-mail: [email protected]

MS11-P09B. Orayech a,c, L. Ortega-San-Martín b, I. Urcelay-Olabarria c, L. Lezama d, T. Rojo a, M.I. Arriortua e, J.M. Igartua f

aCIC energigune, Albert Einstein 48, 01510 Miñano, Alava, Spain bDepartamento de Ciencias, Sección Química, Pontificia Universidad Católica del Perú (PUCP), Av. Universitaria 1801, Lima-32, Peru cDepartamento de Física de la Materia Condensada, Facultad de Ciencia y Tecnología, Universidad del País Vasco, P.O.Box 644, Bilbao 48080, Spain dDepartamento de Química Inorgánica, Universidad del País Vasco, Apdo. 644, 48080 Bilbao, Spain eUniversidad del País Vasco/Euskal Herriko Unibertsitatea (UPV/EHU). Facultad de Ciencia y Tecnología, Dpto. Mineralogía Petrología, B. Sarriena s/n, 48940, Leioa (Vizcaya), Spain fFisika Aplikatua II Saila, Zientzia eta Teknologia Fakultatea, Euskal Herriko Unibertsitatea, P.O.Box 644, Bilbao 48080, Spain

Effect of partial substitution of Ni by Mg on the structural, magnetic and spectroscopic properties of the double perovskite Sr2NiTeO6


68


MS11-P10J. Bauer a, R. Haberkorn a, G. Kickelbick a

aUniversität des Saarlandes, Saarbrücken, Germany

Synthesis and Chemical Sodiation & Desodiation of Olivine-Related Compounds AyMxFe1-xPO4


MS11-P11P. Rodrigues a, A.S. Paula b, J.P. Oliveira a, F.M. Braz Fernandes b

aCENIMAT, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, PortugalbMechanical Engineering and Materials Department - SE-4, Instituto Militar de Engenharia – IME, Brazil

Microstructural Characterization of NiTi Shape Memory Alloys Produced by Rotary hot ForgingE-mail: [email protected]

MS11-P12W. Paszkowicz a, A. Behrooz a, M. Czech a, M. Berkowski a aInstitute of Physics, Polish Academy of Sciences, al. Lotnikow 32/46, PL-02668 Warsaw, Poland

Synthesis and Structural Characterization of Mn-doped Calcium Orthovanadate E-mail: [email protected]

MS11-P13D.A. Petrova a,b, D.V. Deyneko a,c, S.Yu. Stefanovich a, B.I. Lazoryak a

aDepartment of Chemistry, Lomonosov Moscow State University, Russia bDepartment of Physical and Colloid Chemistry, Gubkin Russian State University of Oil and Gas, Russia cShubnikov Institute of Crystallography RAS, Russia

Structural control of polar properties in whitlockite-type systems Ca8-xPbxMBi(VO4)7


MS11-P14G. Dercz a, I. Matuła a, M. Zubko a

aInstitute of Materials Science, University of Silesia, 75 Pułku Piechoty Street 1 A, 41-500 Chorzów, Poland

Effect of ball-milling time on the ß-type structure formation in Ti–Ta–Nb–Zr alloys for medical applicationE-mail: [email protected]

69


MS11-P15F. Baldassarre a, D. Siliqi b aInstitute of Research for Hydrogeological Protection, National Research Council (CNR-IRPI)Via Amendola 122/I, Bari, Italy bInstitute of Crystallography, National Research Council (CNR-IC) Via Amendola 122/O, Bari, Italy

Preparation and caracterizzation of alcoholic colloidal dispersion of strontium hydroxideE-mail: [email protected]

MS11-P16J. Cedervall a, S. Kontos b, T.C. Hansen c, O. Balmes d, F.J. Martinez-Casado d, Z. Matej d, P. Beran e, P. Svedlindh b, K. Gunnarsson b, M. Sahlberg a,b

aDepartment of Chemistry - Ångström Laboratory, Uppsala University, Sweden bDepartment of Engineering Sciences, Uppsala University, Sweden cInstitut Laue-Langevin, France dMAX IV Laboratory, Sweden eNuclear Physics Institute, Czech Republic

Magnetostructural transition in Fe5SiB2 observed with neutron diffraction and the effect of P-substitutionsE-mail: [email protected]

MS11-P17P.S. Haddad a, A.B. Seabra a, M.C. Santos a, M.T. Pelegrino a

aDepartment of Exact and Earth Sciences, Universidade Federal de São Paulo, Diadema, S.P., Brazil

Synthesis, characterization and cytotoxicity of Magnetic Iron Oxide Nanoparticles for Biomedical applicationsE-mail: [email protected]

MS11-P18T.W.B. Lo a,b, L. Ye a, C.C. Tang b, S.C.E. Tsang a

aWolfson Catalysis Centre, Department of Chemistry, Oxford University, UK bDiamond Light Source, UK

Elucidation of Adsorbate Structures and Interactions on Brønsted Acid Sites in H-ZSM-5 by Synchrotron X-ray Powder Diffraction E-mail: [email protected]

70


MS11-P19N. Guillou a, S. Wang a, N. Ramsahye b, G. Maurin b, E. Elkaïm c, N. Steunou a,C. Serre a

aInstitut Lavoisier Versailles, UMR CNRS 8180, UVSQ, Université Paris-Saclay, France bInstitut Charles Gerhardt Montpellier, UMR CNRS 5253, France cCristal beamline, Soleil Synchrotron, St Aubin, France

Unusual structural change in a robust MOF based on Ti12O51 building bricks E-mail: [email protected]

MS11-P20Z. Balogh-Michels a, K. Zweiacker a, Y. Zhang b, A. Jung a,c, Ch. Flötgen d, G. Chahine e, A. Dommann a, R. Erni b, H. von Känel a,c, A. Neels a

aCenter of X-Ray Analytics, Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 Dübendorf, Switzerland bLaboratory for Solid State Physics, ETH-Zürich, Schafmattstrasse 16, 8093 Zürich, Switzerland cElectron Microscopy Center, Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 Dübendorf, Switzerland dEV Group, 4782 St. Florian/Inn, Austria eEuropean Synchrothron, ESRF, Grenoble 38043, France

High resolution diffraction analysis of stresses Si wafers bondingE-mail: [email protected]

MS11-P21D.G. Billing a

aCentre of Excellence in Strong Materials and Materials Energy Research Group School of Chemistry, University of the Witwatersrand, South Africa

New Pyrochlores : Potential Oxygen Solid Electrolytes E-mail: [email protected]

MS11-P22D. Wardecki a, D. Ojwang a, J. Grins a, G. Svensson a

aDepartment of Materials and Environmental Chemistry, Stockholm University, Sweden

Crystal structure of K2/3xCu[Fe(CN)6]2/3•nH2O Prussian Blue analogue studied by neutron powder diffractionE-mail: [email protected]

71


MS11-P23L.P.M.S. Kouakou a, J.Y.Y. Andji aaInorganic Materials Chemistry Laboratory, Félix Houphouët Boigny University, Ivory Coast

Substitution of curative clays by Ivorian local clays: comparative study by Principal Component Analysis E-mail: [email protected]

MS11-P24C. Granados-Miralles a, M. Saura-Múzquiz a, E. D. Bøjesen a, K.M.Ø. Jensen a,b,H.L. Andersen a, M. Christensen a

aCenter for Materials Crystallography, Department of Chemistry & iNano, Aarhus University, Denmark bNanoscience Center, Department of Chemistry, University of Copenhagen, Denmark

Combined In Situ and Ex Situ Powder Diffraction Study on the Crystallization of Magnetic SrFe12O19 Nanocrystallites by the Hydrothermal MethodE-mail: [email protected]

MS11-P26W. Wegner a,b, T. Jaroń b, W. Grochala b

aCollege of Inter-Faculty Individual Studies in Mathematics and Natural Sciences, University of Warsaw, Poland bCentre of New Technologies, University of Warsaw, Poland

Structure and properties of derivatives of magnesium borohydride, as an exemplary view on applying laboratory X-ray powder data for metal borohydrides systems investigationsE-mail: [email protected]

MS11-P25A. Starobrat a,b, T. Jaroń b, W. Grochala b

aCollege of Inter-Faculty Individual Studies in Mathematics and Natural Sciences, University of Warsaw, Poland bCentre of New Technologies, University of Warsaw, Poland

New organic derivatives of scandium borohydride – structure and propertiesE-mail: [email protected]

72


MS11-P27L. Maini a, F. Farinella a, D. Braga a, F. Monti b aDipartimento di Chimica “G. Ciamician”, University of Bologna, Italy bISOF, CNR, Bologna, Italy

Structure determination from powder for brightly emitting Copper Iodide coordination polymers.E-mail: [email protected]

73


MS13-Powder diffraction for pharmaceutical industry

MS13-P01W. Oueslati a, M. Ammar a, A. Ben Haj Amara a


Quantitative XRD analysis of the adsorption of tetracycline onto Na-montmorillonite: Effect of soil solution pHE-mail: [email protected]

MS13-P02H. Novoa de Armas a, M. Meynendonckx a, J. Bevernage a

aPharmaceutical Sciences, Johnson & Johnson Pharmaceutical Research & Development, a division of Janssen Pharmaceutica NV, Turnhoutseweg 30, 2340 Beerse, Belgium

Optimization of the High-Throughput XRPD in Transmission Mode for In-Situ Detection of the Solid State Form in Early Precipitation Inhibitor and Solubility Screening E-mail: [email protected]

MS13-P03M.O. Miclaus a, I.G. Grosu a, X. Filip a, F. Martin a, C. Filip a aNational Institute for Research and Development of Isotopic and Molecular Technologies, Cluj-Napoca, Romania

NMR Crystallography Techniques for structural Characterization of Pharmaceutical compounds from PowdersE-mail: [email protected]

MS13-P04L. Tapmeyer a

aDepartment of Inorganic and Analytical Chemistry, Goethe-University, Frankfurt am Main, Germany

A pharmaceutical co-crystal structure from powder diffraction dataE-mail: [email protected]

MS13-P05E. Cappelletto a, L. Rebuffi b, P. Scardi a aDepartment of Civil, Environmental & Mechanical Engineering, University of Trento, 38123 via Mesiano 77, Trento, Italy bElettra-Sincrotrone Trieste, Mechanical, Vacuum and Optic Engineering Group, Trieste, 34149, Italy

Microstructural effects of high-energy grinding on poorly soluble drugs: the case study of EfavirenzE-mail: [email protected], [email protected], [email protected]

74


MS13-P06F.F. Ferreira a, J.A.P. Sato a

aCentro de Ciências Naturais e Humanas, Universidade Federal do ABC, Santo André-SP, Brazil

The use of X-ray powder diffraction combined with Rietveld refinement as a tool for quantification of degradation products and contaminantsE-mail: [email protected]

MS13-P07F.F. Ferreira a, F.N. Costa a, J.A.P. Sato a, A L. Ibiapino a, L.P. Figueiredo a


Structure determination of several parent compounds used in the treatment of cancer, diabetes mellitus type 2 and hypertension E-mail: [email protected]

MS13-P08V.M. Prado a, F.F. Ferreira a


Structural Characterization of Candidate Drugs for Neglected DiseasesE-mail: [email protected]

MS13-P09T. Rekis a,b, G. Oša a, A. Bērziņš a, L. Orola a, I. Sarceviča a, A. Actiņš a, H. Lorenz b

aDepartment of Physical Chemistry, University of Latvia, Latvia bMax Planck Institute for Dynamics of Complex Technical Systems, Magdeburg, Germany

The chaos in a solid solution decreased in the presence of a solvent: the case of racemic pimobendanE-mail: [email protected]

MS13-P10A. Kons a, A. Actiņš a

aFaculty of Chemistry, University of Latvia, Riga, Latvia

Anhydrous and hydrated crystalline forms of sequifenadine hydrochloride: comparison of thermodynamic stability and crystal structuresE-mail: [email protected]

75


MS13-P11S. Hillier a,b

aThe James Hutton Institute, Aberdeen, UK bDept. of Soil and Environment, SLU, Uppsala, Sweden

Detection limits in XRPD: A practical approach illustrated by amphiboles and serpentines in talc E-mail: [email protected]

MS13-P12P.P. Mazzeo a, A. Prodi b, F. Gozzo a,b

aExcelsus Structural Solutions (Swiss) AG, Brugg, Switzerland bExcelsus Structural Solutions s.p.r.l, Brussels, Belgium

Highly Potent Active Pharmaceutical Ingredient and Controlled Substances: new challenges for proprietary synchrotron-XRPD analyses E-mail: [email protected]

MS13-P13A. Prodi a, P.M. Mazzeo b, A. Cervellino c, F. Gozzo a,c

aExcelsus Structural Solutions sprl bExcelsus Structural Solutions(Swiss)AG cSLS, Paul Scherrer Institut (CH)

Total Scattering characterization of amorphous and nanostructured pharmaceuticalsE-mail: [email protected]

MS13-P14T. Blanton a, S. Gates-Rector a, T. Fawcett a, S. Misture b

aInternational Centre for Diffraction Data, Newtown Square, Pennsylvania, USA bCenter for Advanced Ceramic Technology at Alfred University, Alfred, New York, USA

Powder Diffraction FileTM Coverage of Polymers Used in Pharmaceutical and Biomedical ApplicationsE-mail: [email protected]

MS13-P15H. Toraya a

aRigaku Corporation, Matsubara, Akishima, Tokyo 196-8666, Japan

A new method for the quantitative phase analysis - direct derivation of weight fractions from integrated intensities and chemical compositions of individual crystalline phasesE-mail: [email protected]

76


MS13-P16L. Maini a aDipartimento di Chimica “ G Ciamician”, University of Bologna, Italy

Mechanochemistry and powder diffraction: the perfect combination to boost API crystal form screeningE-mail: [email protected]

MS13-P17M. Ermrich a

aX- Ray Laboratory Dr. Ermrich, Reinheim, Germany

Powder Diffraction of Pharmaceuticals in the daily work of a self-employed service laboratoryE-mail: [email protected]

MS13-P18M.L. Reinle-Schmitt a, P.P. Mazzeo b, A. Prodi c, F. Gozzo b,c aPaul Scherrer Institute, 5232 Villigen, Switzerland bExcelsus Structural Solutions (Swiss) AG, Switzerland cExcelsus Structural Solutions SPRL, Belgium

Absolute quantification of pharmaceuticals: the search of suitable internal standardsE-mail: [email protected]

MS13-P19M. Pop a, C. Iordache a

aTeraCrystal, Cluj-Napoca, Romania

Powder diffraction as tool for identification of isomorphous solvatesE-mail: [email protected]

MS13-P20R. Oishi-Tomiyasu a,b, A. Esmaeili c, T. Kamiyama c

aYamagata University, Yamagata, Japan bJST Presto, Saitama, Japan cInstitute of Materials Structure Science, High Energy Accelerator Research Organization, Ibaraki, Japan

Performance and a newly equipped function of powder indexing software CONOGRAPHE-mail: [email protected]

77


MS13-P21J.K. Cockcroft a, A. Shamshabadi a, A.R. Rennie b

aDepartment of Chemistry, UCL, 20 Gordon St., London, WC1H 0AJ, UK bDepartment of Physics, Ångström Laboratory, Box 516, 75120 Uppsala, Sweden

A Variable Temperature Study of Long Chain Alkyltrimethylammonium Bromides combining SXD and PXRD methods: Crystallographic Pitfalls for the Unwary, and Structural SurprisesE-mail: [email protected]

78


POSTERSPOSTER SESSION PS2: MS04, MS05, MS06, MS07, MS08, MS09, MS12Tuesday, 14 June, 15:30 – 17:30minus one floor, poster area

MS04-Combined methods for structure investigation and imaging

MS04-P01S. Pastore a, D. Altamura a, M.G. Raucci b, D. Siliqi a, F. De Pascalis c, M. Nacucchi c, C. Giannini a aInstitute of Crystallography (IC), National Research Council, Bari, Italy bInstitute of Polymers, Composites and Biomaterials (IPCB), Naples, Italy cItalian National Agency for New Technologies, Energy and Sustainable Economic Development (ENEA), Brindisi, Italy

X-ray microstructural characterization of gelatin/hydroxyapatite scaffolds for osteochondral defect repairE-mail: [email protected]

MS04-P02T. Kryshtab a, H.A. Calderon a, A. Kryvko b

aInstituto Politécnico Nacional, ESFM, Mexico City, Mexico bInstituto Politécnico Nacional, ESIME Zacatenco, Mexico City, Mexico

Structural Characterization of Synthesized Ni/Mg/Al Oxides Using XRD and Atomic Resolution TEME-mail: [email protected]

MS04-P03P. Bais a,b, A. Lafond a, P. Fertey b, C. Guillot-Deudon a, S. Jobic a

aInstitut des Matériaux Jean Rouxel, Université de Nantes, Nantes, France bSynchrotron SOLEIL, Saint-Aubin, France

A combined PXRD and EDX investigation of the Cu2ZnSn(S,Se)4 photovoltaic compoundsE-mail: [email protected]

MS04-P04M. Bortolotti a, L. Lutterotti a, G. Pepponi b aDipartimento di Ingegneria Industriale, Università degli Studi di Trento, Italy bCenter for Materials and Microsystems, Fondazione Bruno Kessler, Trento, Italy

Combining XRD and XRF analysis in one Rietveld-like fitting E-mail: [email protected]

79


MS04-P05V. Efimov a, R. Chernikov b, V. Sikolenko a, S. Pascarelli c, I.O. Troyanchuk d, D. Karpinsky d, M.V. Silibin d, E. Efimova a, B.N. Savenko a, D. Novoselov e, O. Zaharko f and D. Prabhakaran g aJoint Institute for Nuclear Research, Joliot-Curie 6, 141980 Dubna, Russia bDESY Photon Science, Notkestrasse 85, 22607, Hamburg, Germany cEuropean Synchrotron Radiation Facility, BP 220, 38043 Grenoble, France dNational Research University of Electronic Technology “MIET”, 124498 Moscow, Zelenograd, Russia eInstitute of Metal Physics, S. Kovalevskoy St. 18, 620990 Yekaterinburg, Russia fPaul Scherrer Institute, Laboratory for Neutron Scattering and Imaging, CH-5232 Villigen PSI, SwitzerlandgDepartment of Physics, University of Oxford, OX1 3PU, Oxford, Great Britain

A combined X-ray powder diffraction and EXAFS study of LaCoO3 and LaGaO3


MS04-P06E. Efimova a, V. Sikolenko a, S. Pascarelli b, V. Turchenko a, A. Veligzhanin c, I.O. Troyanchuk d, D. Karpinsky d, V. Efimov a, S.I. Tiutiunnikov a, M.V. Silibin e, C. Ritter f aJoint Institute for Nuclear Research, Joliot-Curie 6, 141980 Dubna, Russia bEuropean Synchrotron Radiation Facility, BP 220, 38043 Grenoble, France cNational Research Centre Kurchatov Institute или NRC Kurchatov Institute, Moscow, Russia dScientific-Practical Material Research Center NAS Belarus, 220072 Minsk, Belarus eNational Research University of Electronic Technology “MIET”, 124498 Moscow, Zelenograd, Russia fInstitute Laue Langevin, Grenoble, F-39042, France

A combined neutron powder diffraction and EXAFS study of La1-xSrxCo1–yNbyO3 E-mail: [email protected]

MS04-P07T.M. Gesing a, A. Huq b, G. Nénert c,d, M. Gateshki c, T. Schönbeck d, M.M. Murshed a

aChemische Kristallographie fester Stoffe, Institut für Anorganische Chemie und Kristallographie, FB2, Leobener Straße /NW2, and MAPEX Center for Materials and Processes, Bibliothekstraße 1, Universität Bremen, D-28359 Bremen, Germany bChemical and Engineering Materials Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA cPANalytical B.V., Lelyweg 1, 7602 EA, Almelo, The Netherlands4

dInstitut Laue Langevin, 71 avenue des Martyrs - CS 20156 - 38042 GRENOBLE CEDEX 9 ePANalytical GmbH, Nürnberger Straße 113, 34123 Kassel, Germany

Structural, spectroscopic and thermal behaviors of mullite-type compounds studied by neutron TOF, X-ray PDF and inelastic light scatteringE-mail: [email protected]

80


MS04-P08O.V. Sidorova a, L.A. Aleshina a

aDepartment of Solid State Physics, Petrozavodsk State University, Russia

X-ray study and computer simulation of the structure of amorphous-crystalline titaniteE-mail: [email protected]

MS04-P09A. Bodach a, L. Fink a, K. Samigullin a, E. Alig a, M. Wagner a, H.-W. Lerner a

aInstitute of Inorganic and Analytical Chemistry, Goethe University Frankfurt, Germany

Crystal Structure and DFT-D Calculations of Donor-Unsupported Li[CH2P(tBu)2]E-mail: [email protected]

MS04-P10C.K. Egan a, S.D.M. Jacques a,b, M.D. Wilson c, M.C. Veale c, P. Seller c, T. Connelly d & R.J. Cernik a

aSchool of Materials, University of Manchester, UKbResearch Complex at Harwell, Oxfordshire, UKcSTFC, Rutherford Appleton Laboratory, Didcot, Oxfordshire, UKdDiamond Light Source, Harwell Campus, Didcot, Oxfordshire, UK

Dark field Hyperspectral X-ray Diffraction ImagingE-mail: [email protected]

MS04-P11B. Yasar a, E. Kalay a, Y. Ergunt a, M. Kabukcuoglu a, M. Parlak a, R. Turan a

aMETU, Department of Metallurgical and Materials Engineering, Üniversiteler Mah. Dumlupınar Blv. No:1, 06800 Çankaya Ankara/TURKEY Phone: +90 312 210 2511

HRTEM Analysis of Crystallographic Defects in Cd-Zn-Te Single CrystalsE-mail: [email protected]

81


MS05-Materials for sustainable development

MS05-P01P. Javadian a, D.A. Sheppard a, T.R. Jensen b, C.E. Buckley a

aDepartment of Imaging and Applied Physics, Curtin University of Technology, GPO Box U 1987, Perth, Western Australia 6845, Australia bCenter for Energy Materials, Interdisciplinary Nanoscience Center (iNANO), and Department of Chemistry, Aarhus University, DK-8000 Aarhus, Denmark

Destabilization of lithium hydride and the thermodynamic assessment of the Li-Al-H system for solar thermal energy storageE-mail: [email protected]

MS05-P02M. Kotrlý a,b

aInstitute of Criminalistics Prague (ICP), Czech Republic bCharles University in Prague, Faculty of Science, Praha, Czech Republic

Complex characterization of colour layers, paint systems and non-standard and home-made explosives in forensic practiceE-mail: [email protected]

MS05-P03T. Lindahl Christiansen a,b, S. Birgisson a, B.B. Iversen a

aCenter for Materials Crystallography, Department of Chemistry and iNANO, Aarhus, Denmark bDepartment of Chemistry, Copenhagen University, Denmark

Systematic Studies of Crystal Structure and Electrochemical Properties of Layered Sodium Transition Metal OxidesE-mail: [email protected]

MS05-P04K.C.L. Lixandrão a, F.F. Ferreira a

aCentro de Ciências Naturais e Humanas, UFABC, Santo André, SP, Brazil

Study and Characterization of a Polypropylene and Tire Powder Composite for Use in the Automotive IndustryE-mail: [email protected]

MS05-P05K. Ståhl a, R. Neerup b, P.L. Fosbøl b aDepartment of Chemistry and bDepartment of Chemical and Biochemical Engineering, Technical University of Denmark, Lyngby, Denmark

CO2 capture. Two new structures in the 2-amino-2-methyl-1-propanol (AMP) – water – CO2 system E-mail: [email protected]

82


MS05-P06H. Boughzala a

aLaboratoire de Cristallochimie et Matériaux Faculty of Sciences El Manar University, Tunisia

Metal Halide Hybrid Materials Topology & PhotonicsE-mail: [email protected]

MS05-P07D. Havlíček a, O. Vik a

aDept. of Inorg. Chemistry, Faculty of Science, Charles University in Prague, Czech Republic

Determination of amphibole asbestos fribres by powder X-ray diffraction and comparison with other used methods (IR, optical microscopy, electron microscopy)E-mail: [email protected]

MS05-P08J. Huot a, P. Whitfield b

aDepartment of Chemistry, Biochemistry and Physics, Université du Québec à Trois-Rivières, Trois-Rivières, Québec, Canada bChemical and Engineering Materials Division, Oak Ridge National Laboratory, Oak Ridge, United States

Crystal structure of TiFe alloys doped with Zr7Ni10 and Zr E-mail: [email protected]; [email protected]

MS05-P09P. Khalifah a,b

aDepartment of Chemistry, Stony Brook University, Stony Brook, USA bDepartment of Chemistry, Brookhaven National Laboratory, USA

Probing periodicities from 3 – 300 Å with powder diffraction: Combining insights from small box, large box, and outside-the-box methods E-mail: [email protected]

MS05-P10E. Onur Şahin a, T. Öztürk a

aMiddle East Technical University, Ankara, Turkey

Development of Rare Earth-Free Negative Electrode Materials for Ni/MH Batteries E-mail: [email protected]

83


MS05-P11F.F. Ferreira a, H.C.F. Cordon a, M.S. Ferreira b

aCentro de Ciências Naturais e Humanas, Universidade Federal do ABC, Santo André, SP, Brazil bInstituto Mauá de Tecnologia, São Caetano do Sul, SP, Brazil

Microstructural analysis of recycled gypsumE-mail: [email protected]

MS05-P12C. Echevarria-Bonet a, M.D. Riktor a, M.H. Sørby a, B.C. Hauback a

aPhysics Department, Institute for Energy Technology, N-2027 Kjeller, Norway

Phase coexistence in half-Heusler alloys, observed by high resolution synchrotron XRD E-mail: [email protected]

MS05-P13X. Alcobe a, L. Calvo a,c, T. Jawhari a, F. Oliva b, R. Kondrotas b, M. Guc b, P. Pistor b, E. Saucedo b, A. Pérez-Rodriguez b,c, V. Izquierdo-Roca b

aCentres Cientifics i Tecnologics (CCiTUB), Universitat de Barcelona, C. Lluis Sole i Sabarís 1, 08028, Barcelona, Spain.CCiTUB bCatalonia Institute for Energy Research (IREC), Jardins de les Dones de Negre 1, 08930 Sant Adrià del Besòs-Barcelona, Spain cIN2UB, Departament d’Electrònica, Universitat de Barcelona, Martí i Franquès 1,08028 Barcelona, Spain

Phase analysis and structural characterization of CuZnInSe3 based photovoltaic compoundsE-mail: [email protected]

MS05-P14S. Vankova a, D. Versaci a, A. Ferrari b, R. Rizzi c, S. Bodoardo a, N. Penazzi a aDISAT Polytechnic of Turin , Turin, Italy bDepartment of Chemistry, University of Turin, Turin, Italy cInstitute of Crystallography (IC-CNR), Bari, Italy

Crystal structure and cycling stability of the SnO2 as an anode for lithium ion batteriesE-mail: [email protected]

84


MS06-Progress in instrumentation

MS06-P01A. Pein a, W.B. Puhr a

aAnton-Paar GmbH, Graz, Austria

The BTS 150/500 Benchtop Heating Stages: the first commercial non-ambient XRD-attachments for benchtop devicesE-mail: [email protected]

MS06-P02A. Pein a, W.B. Puhr a

aAnton-Paar GmbH, Graz, Austria

The TTK 600 Low-Temperature Chamber: a novel multipurpose non-ambient XRD attachmentE-mail: [email protected]

MS06-P03A. Houben a, P. Jacobs a, W. Schweika b, H. Conrad b, P. Müller a, Th. Brückel b, R. Dronskowski aaChair of Solid-State and Quantum Chemistry, Institute of Inorganic Chemistry, RWTH Aachen University, D-52056 AachenbJülich Centre for Neutron Science JCNS and Peter Grünberg Institut PGI, JARA-FIT, Forschungszentrum Jülich, D-52425 Jülich

Angular- and Wavelength-Dispersive, High-Intensity Neutron TOF Diffractometer POWTEX E-mail: [email protected]

MS06-P04D.M. Többens a, G. Schuck a, S. Schorr a,b

aHelmholtz-Zentrum Berlin für Materialien und Energie, Berlin, Germany bInstitute of Geological Sciences, Freie Universität Berlin, Berlin, Germany

The multi-purpose beamline KMC-2E-mail: [email protected]

MS06-P05M.R.V. Jørgensen a, I. Kantor b, E.B. Knudsen b, H.F. Poulsen b, B.B. Iversen a

aCenter for Materials Crystallography, Department of Chemistry and iNANO, Aarhus University, Langelandsgade 140, DK-8000 Aarhus C, Denmark bDepartment of Physics, Technical University of Denmark, Kgs. Lyngby, Denmark

DanMAX – The Danish beamline for in situ materials studies at MAX IVE-mail: [email protected]

85


MS06-P06P. Mikula a, M. Vrána a, J. Šaroun a, J. Čapek b

aNuclear Physics Institute ASCR, v.v.i., 25068 Řež, Czech Republic bFaculty of Math. and Physics, Charles University, Ke Karlovu 5, 121 16 Prague, Czech Rep.

Neutron diffraction resolution properties of a double crystal (+n,-m) setting containing a fully asymmetric diffraction geometry (FAD) of a bent perfect crystal (BPC)E-mail: [email protected]

MS06-P07M.R. Rowles a, B. Halstead b

aHydrogen Storage Research Group, Fuels and Energy Technology Institute, Curtin University, AustraliabMineral Resources National Research Flagship, Commonwealth Scientific & Industrial Research Organisation, Australia

Corrections for non-standard diffraction geometriesE-mail: [email protected]

MS06-P08Y. Shiramata a, T. Konya a, A. Yamano a

aRigaku Corporation, Tokyo, Japan

Micro-area X-ray diffraction measurement by ultra-high brilliance microfocus X-ray source and two dimensional detectorE-mail: [email protected]

MS06-P09A. Panchenko a,b

aNikolaev Institute of Inorganic Chemistry SB RAS, Novosibirsk, Russia bNovosibirsk State University, Novosibirsk, Russia

Technique for obtaining ideal diffraction pattern of microscopic graphite crystal from Popigai astrobleme E-mail: [email protected]

MS06-P10P.F. Peterson a, A. Huq a, J. Neilson b, D.P. Olds a, K.L. Page a, P.S. Whitfield a, W. Zhou a

aOak Ridge National Laboratory, TN, USAbDepartment of Chemistry, Colorado State University, CO, USA

Event Processing Neutron Powder Diffraction Data with Mantid E-mail: [email protected]

86


MS06-P11T. Osakabe a, K. Ito a & T. Ozawa a


Optimization of small-angle X-ray scattering system based on Bonze-Hart type opticsE-mail: [email protected]

MS06-P12M. Etter a, J. Bednarcik a, A. Berghäuser b, A. Ehnes a, H.-P. Liermann a, A. Schökel c, I. Schwark a, M. Wendt a

aPhoton Science, FS-PE, DESY, Hamburg, Germany bInstitute for Mineralogy and Petrography, University Hamburg, Hamburg, GermanycInstitut für Anorganische Chemie, Karlsruher Institut für Technology (KIT), Karlsruhe, Germany

Status of the High Resolution Powder Diffraction Beamline P02.1 at PETRA III, DESY.E-mail: [email protected]

MS06-P13J.P. Cline a, M.H. Mendenhall a, A. Henins a, L.T. Hudson a, C.I. Szabo a, D. Windover a

aNIST, Gaithersburg, MD, USA

A High-Precision Measurement of the Cu Kα Emission Spectrum E-mail: [email protected]

MS06-P14N. Violini a, K. Lieutenant b, A. Houben c, P. Jacobs c, P.F. Henry d, M. Feygenson a, W. Schweika a,d

aJülich Centre for Neutron Science JCNS, Forschungszentrum Jülich, GermanybHelmholtz Zentrum Berlin, GermanycRWTH Aachen University, GermanydEuropean Spallation Source ESS ERIC, Lund, Sweden

Concept and developments for the DREAM powder diffractometer at the ESSE-mail: [email protected]

MS06-P15P. Chizhov a, A. Kozlov b, M. Lobanov a

aChemistry Department, Moscow State University, Moscow, RussiabCertification and Analytical Control Division, Moscow University for Steel and Alloys, Moscow, Russia

SQAmorph: program package for phase quantification by G-factor method.E-mail: [email protected]

87


MS06-P16F.J. Martínez-Casado a, Z. Matěj a, D. Haase a, O. Balmes a

aMAX IV Laboratory – Lund University, Lund, Sweden

Set-up for medium and high resolution powder diffraction (for Rietveld refinement) and fast in-situ reactions. Examples from the beamline I711 at MAX IV Laboratory E-mail: [email protected]

MS06-P17A.G. De la Torre a, L. León-Reina b, A. Cuesta d, M. García-Maté a,c, G. Álvarez-Pinazo a,c,I. Santacruz a, O. Vallcorba d, M.A.G. Aranda a,d

aDepartamento de Química Inorgánica, Cristalografía y Mineralogía, Universidad de Málaga, 29071-Málaga, SpainbServicios Centrales de Apoyo a la Investigación, Universidad de Málaga, 29071-Málaga, SpaincX-Ray Data Services S.L., Edificio GREEN RAY, 1ª planta, Avda. Louis Pasteur, 47 (Ampliación Campus Teatinos), 29010-Málaga, Spain dALBA synchrotron, Carrer de la Lum, 2-26, E-08290 Cerdanyola del Vallès, Barcelona, Spain

Quantitative phase Analisis: A comparative study of Mo and Cu strictly monochromatic radiations E-mail: [email protected]

MS06-P18T. Konya a, Y. Shiramata a, K. Nagao a, A. Yamano a


Development of Multi-dimensional XRD System with a SAXS/WAXS AttachmentE-mail: [email protected]

MS06-P19L. van Eijck a, A.A. van Well a , C. Pappas a

aDelft University of Technology, Delft, Netherlands

The novel neutron powder diffractometer PEARL at the TU-DelftE-mail: [email protected]

MS06-P20B. Hasse a, A. Kleine a, J. Graf a, C. Michaelsen a

aIncoatec GmbH, Max-Planck-Str. 2, 21502 Geesthacht, Germany

Recent Developments on Incoatec’s Microfocus Source IµSE-mail: [email protected]

88


MS06-P21Z. Matěj, F.J. Martínez-Casado a, D. Haase a, O. Balmes a

aMAX IV Laboratory, Lund University, Sweden

Experimental Advantages of Scanning 2D Pixel Detectors for XPDE-mail: [email protected]

MS06-P22T. Ida a,b, K. Wachi a, D. Hattan a, S. Ono a, S. Tachiki b, Y. Nakanishi b, Y. Sakuma b, A. Wada b, S. Towata b

aAdvanced Ceramics Research Center, Nagoya Insitute of Technology, Tajimi, JapanbAichi Synchrotron Radiation Center, Seto, Japan

Analysis of Powder Diffraction Data Measured with Synchrotron X-ray and 2D Detector E-mail: [email protected]

89


MS07-Diffraction line profile analysis, stress, strain and texture

MS07-P01A. Leineweber a

aInstitute of Materials Science, Technical University Bergakademie Freiberg, Freiberg, Germany

Quantification of different types of strain anisotropyE-mail: [email protected]

MS07-P02E.E. Levin a, M. Leoni b, O.A. Petrii a aDepartment of Chemistry, Moscow State University, Moscow Russia bDepartment of Civil, Environmental and Mechanical Engineering, University of Trento, Trento, Italy

Texture of palladium electrodeposits on gold support, deposited from a chloride bathE-mail: [email protected]

MS07-P03A.M. Niculescu a, M. Dumitru a, C.T. Fleaca a, C. Luculescu a, E. Vasile b, V. Kuncser c, M. Dinescu a

aNational Institute for Lasers, Plasma and Radiation Physics, 409 Atomistilor Str., 77125 Bucharest- Magurele, RomaniabUniversity POLITEHNICA of Bucharest, Faculty of Applied Chemistry and Material Science, Department of Oxide Materials and Nanomaterials, No. 1-7 Gh. Polizu Str, Bucharest, RomaniacNational Institute of Materials Physics NIMP, 105 BIS Atomistilor Str. , 077125 Bucharest-Magurele, Romania

Structural and morphological characteristics of magnetic ternary Fe-Sn-Ti and quaternary Fe(Co,Ni)-Sn-Ti mixed oxides nanoparticles made by glycine-mediated solid state combustionE-mail: [email protected]

MS07-P04D.V. Striukov a, Yu.I. Golovko b, V.M. Mukhortov b, A.G. Razumnaya a, Yu.I. Yuzyuk a

aFaculty of Physics, Southern Federal University, Rostov-on-Don, Russia bSouthern Scientific Center RAS, Rostov-on-Don, Russia

Strain Engineering in the Bismuth Ferrite HeterostructuresE-mail: [email protected]

90


MS07-P05A. Leonardi a, D.L. Bish a

aDepartment of Geological Sciences, Indiana University, Bloomington, Indiana 47405, U.S.A.Long-range pairwise interactions in nano materialsE-mail: [email protected]

MS07-P06B.A. Abdurakhimov a, M.Yu. Tashmetov a

aInstitute of Nuclear Physics, Tashkent, UzbekistanThe effect of electron beam to nanopowder size and structural parameters of the silicon carbideE-mail: [email protected]

MS07-P07H. Becker a, T. Zienert a, M. Wetzel a, A. Leineweber a

aInstitute of Materials Science, Technical University Bergakademie Freiberg, Freiberg, GermanyOrdering strains in Al5Fe2 E-mail: [email protected]

MS07-P08J.R. Plaisier a, M. El Ashmawy b, M. Abdellatief a

aElettra- Sincrotrone Trieste, Basovizza, ItalybDepartment of Chemistry, University of Cambridge, UKLine profile analysis at high temperatures at MCX: The example of thermoluminescent LiFE-mail: [email protected]

MS07-P09M.A. Kojdecki a, P. Pardo b, J.M. Calatayud b, J.M. Amigó c, J. Alarcón b

aInstitute of Mathematics and Cryptology, Military University of Technology, Warsaw, PolandbDepartment of Inorganic Chemistry, University of Valencia, Valencia, Spain cDepartment of Geology, University of Valencia, Valencia, SpainCrystalline microstructure of boehmites studied by multi-peak analysis of powder X-ray diffraction patterns E-mail: [email protected]

MS07-P10E.D. Kajewole a, A.B. Alabi b, O.A. Babalola c, A.R. Obasuyi daDepartment of Physics, University of Ilorin, Ilorin, NigeriaStructural and optical properties of chemically synthesized nanostructured zinc oxide particles E-mail: [email protected]

91


MS07-P11D. Ectors a, F. Goetz-Neunhoeffer a, J. Neubauer a

aUniversity of Erlangen-Nuernberg (FAU) – GeoZentrum Nordbayern, Mineralogy, Erlangen, GermanyAnisotropic size peak broadening in the double-Voigt approach – A Rietveld compatible methodE-mail: [email protected]

MS07-P12A. Guarino a,b, P. Romano a,c, F. Avitabile a, A. Leo a,b, G. Grimaldi b, N. Martucciello b, A. Vecchione b, A. Nigro a,b

aDipartimento di Fisica ‘E. R. Caianiello’, Universitá di Salerno I-84084 Fisciano (SA), ItalybCNR-SPIN Salerno, Universitá di Salerno, I-84084 Fisciano (SA), Italy cDipartimento di Scienze e Tecnologie , Universitá del Sannio, I-82100 Benevento, ItalyThe oxygen role on structural and electrical properties of electron-doped NCCO thin filmsE-mail: guarino @ sa.infn.it

MS07-P13P.M. Kibasomba a, B.W. Mwakikunga b, S. Dhlamini a, M. Maaza a,c

aDeptartment of Physics, Florida Research Centre, University of South Africa, Florida, South Africa bDST/CSIR- National Centre for Nano-Structured Materials, PO Box 395 Pretoria, South AfricacNanosciences African Network (NANOAFNET), iThemba LABS-National Research Foundation, 1 Old Faure road, Somerset West 7129, P.O. Box 722, Somerset West, Western Cape Province, South Africa.In-depth analysis by Williamson-Hall method of temperature dependent properties of lyophilized TiO2 phasesE-mail: [email protected]; [email protected]

MS07-P14M. Leoni aaDepartment of Civil, Environmental and Mechanical Engineering, University of Trento, Italy

Crystallography, entropy, complexity and stacking defects in nanosized powdersE-mail: [email protected]

92


MS08-In situ/operando studies

MS08-P01V. Kahlenberg a, T. Langreiter a

aInstitute of Mineralogy & Petrography, University of Innsbruck, Innsbruck, Austria

TEV- a program for the determination and visualization of the thermal expansion tensor from diffraction data E-mail: [email protected]

MS08-P02T.A. Samtleben a, S. Correll a, T. Hartmann a

aStoe & Cie GmbH, Darmstadt, Germany

STOE InSitu HT2 – a new in-situ reaction chamber in Debye-Scherrer geometryE-mail: [email protected]

MS08-P03W. Oueslati a, M. Ammar a, A. Ben Haj Amara a


Effect of water sorption/desorption process on the hydration behaviour of Na-montmorillonite: "in situ" Quantitative XRD analysisE-mail: [email protected]

MS08-P04C. Durniak a, T.H. Rod a, T.R. Nielsen a

aData Management and Software Centre, European Spallation Source ERIC, Universitetsparken 1, 2100 Copenhagen Denmark

Prototype of live refinement of powder diffraction data E-mail: [email protected]

MS08-P05C. Aparicio a, J. Filip a, L. Machala a

aRegional Centre of Advanced Technologies and Materials, Department of Experimental Physics, Faculty of Science, Palacký University, Olomouc, Czech Republic

From Prussian blue to iron carbides: High-temperature XRD study of the mechanism of thermal decomposition E-mail: [email protected]

93


MS08-P06D. Londono-Zuluaga a,b, J.I. Tobon b, M.A.G. Aranda a,c, L. Leon-Reina a, I. Santacruz a, A.G. De la Torre a

aDepartamento de Química Inorgánica, Cristalografía y Mineralogía, Universidad de Málaga, 29071 Málaga, SpainbGrupo del Cemento y Materiales de Construcción, CEMATCO, Universidad Nacional de Colombia, Facultad de Minas, Medellín, ColombiacALBA Synchroton, Carretera BP 1413, Km. 3.3, 08290 Cerdanyola, Barcelona, Spain

In-situ Molibdenum X-ray powder diffraction study of the early hydration of cementitious systems on a humidity chamber E-mail: [email protected]

MS08-P07M. Müller a, H. Gies a

aRuhr-Universität Bochum, Institute for Geology, Mineralogy und Geophysics Bochum, Germany

Monitoring chemical reactions using laboratory in-situ X-ray powder diffraction techniquesE-mail: [email protected]

MS08-P08S. Birgisson a, Y. Shen b, T. Lindahl Christiansen a,c, S. Kjeldgaard a, B.B. Iversen a

aCenter for Materials Crystallography, Department of Chemistry and iNANO, Aarhus, DenmarkbSynfuels China Technology Co., Ltd., Beijing, ChinacDepartment of Chemistry, Copenhagen University, Denmark

In operando powder X-ray diffraction studies of Li- and Na-ion battery electrode materials using an in house diffractometerE-mail: [email protected]

MS08-P09J.P. Oliveira a, R.M. Miranda b, F.M. Braz Fernandes a

aCENIMAT/i3N, Faculdade de Ciências e Tecnlogia, Universidade Nova de Lisboa, PortugalbUNIDEMI, Faculdade de Ciências e Tecnlogia, Universidade Nova de Lisboa, Portugal

In-situ study of post welding heat treatments of laser welded NiTi using synchrotron X-ray diffractionE-mail: [email protected]

94


MS08-P10M. Dapiaggi a, F. Rigo a, G. Confalonieri a, A. Pavese a, F. Francescon b

aEarth Science Department, Università degli Studi di Milano, Italy bIdeal Standard International, Trichiana, Belluno (Italy)

Recycling ceramic by-products: a high temperature studyE-mail: [email protected]

MS08-P11H. Geßwein a, A.O. Kondrakov b, B.B. Berkes b, H. Sommer b, T. Brezesinski b, J. Janek b

aInstitute for Applied Materials, Karlsruhe Institute of Technology, GermanybInstitute of Nanotechnology / Battery and Electrochemistry Laboratory, Karlsruhe Institute of Technology, Germany

Structural changes of Ni-rich Li(Ni,Co,Mn)O2 cathodes at high (>50%) degrees of delithiationE-mail: [email protected]

MS08-P12S.G. Antonio a, D.L. Tita a, C.O. Paiva-Santos a

aInstitute of Chemistry, Araraquara, Brazil bDepartment of Physical-Chemistry, Univ Estadual Paulista, BR

Preparing Parametric input file through Excel®E-mail: [email protected]

MS08-P13A. Sasaki a, H. Konaka a

aXRD Application & Software Development, Rigaku Corporation, JAPAN

Crystal structures and transition behaviors of Ni-complexes based on powder crystal structure analysisE-mail: [email protected]

MS08-P14C. Giacobbe a, E. Lavigna b, A. Maspero b, S. Galli b aEuropean Synchrotron Radiation Facility, Grenoble, France bDipartimento di Scienza ed Alta Tecnologia, University of Insubria, Italy

Combined high resolution and hard X-ray powder diffraction of in situ CO2 uptake of bis(pyrazolato)-based MOFsE-mail: [email protected]

95


MS08-P15A. Missyul a,b, I. Bolshakov a, R. Shpanchenko a

aSamsung SDI, Suwon, South Korea bALBA Synchrotron Light Source, Cerdanyola del Valles, Barcelona, Spain

In situ study of the phase transformations in the graphite anodes by Rietveld methodE-mail: [email protected]

MS08-P16M.R. Rowles a, T.D. Humphries a, D.A. Sheppard a, M.V. Sofianos a, C.E. Buckley a

aHydrogen Storage Research Group, Fuels and Energy Technology Institute, Curtin University, AustraliaMetal hydrides for thermal energy applicationsE-mail: [email protected]

MS08-P17C. Tyrsted a, L.F. Lundegaard a, R.R. Tiruvalam a, A. Carlsson b, F. Morales-Cano a, C.V. Ovesen a

aHaldor Topsøe A/S, Haldor Topsøes Alle 1, 2800 Lyngby, Denmark bFEI Company, Achtseweeg Noord 5, NL-5651 GG Eindhoven, The NetherlandsHindered reduction of NiO on Al containing carriers studied by in situ XRDE-mail: [email protected]

MS08-P18L.S. Germann a, I. Huskić b, K. Užarević b,c, M. Etter d, I. Halasz c, O.K. Farha e, T. Friščić b and R.E. Dinnebier a aMax Planck Institute for Solid State Research, Stuttgart, Germany bMcGill University,Montreal, Qc, Canada cRuđer Bošković Institute, Zagreb, Croatia dDeutsches Elektronen Synchrotron (DESY), Hamburg, Germany eNorthwestern University, Evanston, IL, USAIn situ studies of crystallization processes of MOFs during mechanochemical reactionsE-mail: [email protected]

MS08-P19M. Taddei a, D.A. Steitz b, N. Casati c, J.A. van Bokhoven a,b, M. Ranocchiari a aPaul Scherrer Institut, Villigen, Switzerland bEidgenossische Technische Hochschule, Zürich, Switzerland cSwiss Light Source, Villigen, SwitzerlandIn-situ high-resolution powder diffraction study of the crystallization of metal-organic frameworks in a high-throughput reactorE-mail: [email protected]

96


MS08-P20O.A. Bulavchenko a,b, S.V. Cherepanova a,b, E.Yu. Gerasimov a,b, O.S. Nikulina a,b, S.V. Tsybulya a,b

aBoreskov Institute of Catalysis SB RAS, Novosibirsk, Russia bNovosibirsk State University, Novosibirsk, Russia

In situ XRD Study of Mixed Mn-containing Oxide CatalystsE-mail: [email protected]

MS08-P21I.A. Bobrikov a, N.Yu. Samoylova a, S.V. Sumnikov a, O.Yu. Ivanshina a, A.M. Balagurov a

aJoint Institute for Nuclear Research, Dubna, Russia

New electrochemical cells for in-operando time-of-flight neutron diffraction study of Li-ion electrode materialsE-mail: [email protected]

MS08-P22V. Ban a, Y. Filinchuk b, N. Tumanov b, R. Černý c, Y. Sadikin c, N. Casati aaPaul Scherrer Institute, Villigen, SwitzerlandbInstitute of Condensed Matter and Nanosciences, Université catholique de Louvain, place L. Pasteur 1, 1348 Louvain-la-Neuve, BelgiumcLaboratory of Crystallography, Department of Quantum Matter Physics, University of Geneva, Quai Ernest-Ansermet 24, CH-1211 Geneva, Switzerland

New setup for in situ mechanochemistryE-mail: [email protected]

MS08-P23N.A.S. Webster a, M.I. Pownceby a, J.A. Kimpton b

aCSIRO Mineral Resources, Clayton, VIC, AustraliabAustralian Synchrotron, Clayton, VIC, Australia

In Situ Diffraction Analysis of Iron Ore Sinter Bonding Phase FormationE-mail: [email protected]

MS08-P24K.H. Stone a, L.T. Schelhas a, C.J. Tassone a, M.F. Toney a

aSSRL Materials Science Division, SLAC National Accelerator Laboratory, Menlo Park CA, USA

Chemistry and Formation of Chlorine Derived MAPbI3 from in-situ X-Ray MeasurementsE-mail: [email protected]

97


MS08-P25M.M. Murshed a, M. Šehović a, A. Senyshyn b, M. Fischer c, H. Schneider c, T.M. Gesing a

aChemische Kristallographie fester Stoffe, Institut für Anorganische Chemie und Kristallographie, FB2, Leobener Straße /NW2, and MAPEX Center for Materials and Processes, Bibliothekstraße 1, Universität Bremen, D-28359 Bremen, GermanybResearch neutron reactor ZWE FRM-II, Lichtenbergstrasse 1, Technische Universität München, D-85747 Garching, GermanycKristallographie, FB Geowissenschaften, Universität Bremen, Klagenfurter Straße, and MAPEX Center for Materials and Processes, Bibliothekstraße 1, Universität Bremen, D-28359 Bremen, Germany

Lattice thermal expansion of 3:2 and 2:1 mullites between 4 K and 1330 KE-mail: [email protected]

MS08-P26W.R. Brant a, T. Gustafsson a, K. Edström a

aUppsala University, Uppsala, Sweden

Operando Diffraction for Lithium Ion Batteries E-mail: [email protected]

98


MS09-Nanomaterials, surfaces and interfaces

MS09-P01D. Moscheni a, D.N. Dirin b, A. Cervellino c, M.V. Kovalenko b, F. Bertolotti a, N. Masciocchi a, A. Guagliardi d aUniversity of Insubria and To.Sca.Lab, Como, Italy bETH Zürich and EMPA, Zürich, Switzerland cSwiss Light Source, Paul Scherrer Institut, Villigen, Switzerland dIstituto di Cristallografia, CNR, and To.Sca.Lab., Como, Italy

Structural Analysis of Defective Colloidal Cadmium Selenide Quantum-Dots through Synchrotron X-Ray Total Scattering Techniques E-mail: [email protected]

MS09-P02B. Peplinski a, B. Adamczyk a, C. Meyer a, O. Krüger a, H. Scharf a, S. Reinsch a, M. Ostermann a, M. Nofz a, C. Jäger a, C. Adam a, F. Emmerling a

aFederal Institute for Materials Research (BAM), Berlin, Germany

Nanocrystalline and stacking-disordered β-cristobalite AlPO4 stabilized at room temperature: synthesis and X-ray powder diffraction data E-mail: [email protected]

MS09-P03A. Bernasconi a, J. Wright a, A. Pavese b, M. Dapiaggi b, F. Francescon c

aESRF – The European Synchrotron, Grenoble, France bEarth Science Department, Università degli Studi di Milano, Italy cIdeal Standard International, Trichiana, Italy

Glazes: from conventional laboratory powder diffraction to nano-sized beam X-ray diffraction E-mail: [email protected]

MS09-P04E.Yu. Filatov a,b, I.V. Kochetygov a,b, S.V. Korenev a,b

aNikolaev Institute of Inorganic Chemistry SB RAS, 630090 Novosibirsk, Lavrentjiev Ave. 3bNovosibirsk State University, 630090 Novosibirsk, Pirogova str. 2

Study of Nanostructured Alloys CoxIr1-x Formation Mechanism from Single-Source Precursors E-mail: [email protected]

99


MS09-P05D. Jehnichen a, D. Pospiech a, P. Friedel a, A. Horechyy a, A. Korwitz a, A. Janke a, F. Näther a, G. He a, A. Sepe b, C. M. Papadakis b, J. Perlich c

aLeibniz-Institut für Polymerforschung Dresden e.V., Dresden, Germany bTU München, Physik-Dep. E 13, Garching, Germany cDESY Hamburg, Photon Science, Hamburg, Germany

Effects of nanoparticles on phase morphology in thin films of diblock copolymers E-mail: [email protected]

MS09-P06N.V. Kuznetsova a, V.A. Petrov a, A.T. Gubaidullin b, N.V. Averianova a, G. Chinga Carrasco c

aKazan National Research Technological University, Karl Marks 68, 420015, Kazan, Russia 2 A.E. Arbuzov bInstitute of Organic and Physical Chemistry of Russian Academy of Science, Arbuzov 8, 420088, Kazan, Russia cPFI Biocomposites, Høgskoleringen 6b, NO-7491 Trondheim, Norway

WAXD and SAXS Investigation of Bleached and Unbleached P. Radiata Nanofibrillated Celluloses E-mail: [email protected]

MS09-P07F. Lukáč a, Z. Pala b, J. Cinert a,c, T. Chráska a, P. Málek d, O. Molnárová d

aInstitute of plasma physics, Czech Republic bUniversity of Nottingham, United Kingdom cFaculty of Electrical Engineering, Czech Technical University in Prague, Czech Republic dMathematics and physics faculty, Charles University in Prague, Czech Republic

Effect of cryogenic milling on nanocrystalline precipitates in sintered Al7075 alloyE-mail: [email protected]

MS09-P08K. Dudek a. b, J. Podwórny a, M. Dulski b, A. Nowak c, J. Peszke c

aInstitute of Ceramics and Building Materials, Refractory Materials Division in Gliwice, Poland bInstitute of Material Science, University of Silesia, Chorzow, Poland cA. Chelkowski Institute of Physics, University of Silesia, Katowice, Poland

X-ray investigations of silica/silver nanocompositeE-mail: [email protected]

100


MS09-P09J. Kim a, J.H. Park a, Y. Park a, G. Kang a, S.-J. Kim a

aDepartment of Energy Systems Research, Ajou University, 443-749, Korea

Structural Characterization of Cation Disordered Cu2ZnSnSe4


MS09-P10M. Rudolph a, T. Zienert a, M. Motylenko a, H. Stöcker b, D. Rafaja a

aInstitute of Materials Science, TU Bergakademie Freiberg, Germany bInstitute of Experimental Physics, TU Bergakademie Freiberg, Germany

Thermally Induced Formation of Transition Aluminas from BoehmiteE-mail: [email protected]

MS09-P11A. Serafini a, L. Lutterotti b, S. Gross c, S. Gialanella b

aDipartimento di Chimica, Materiali e Ingegneria Chimica “Giulio Natta”, Politecnico di Milano, Italy bDipartimento di Ingegneria Industriale, Università degli Studi di Trento, Italy cCNR-IENI, Dipartimento di Scienze Chimiche, Università degli Studi di Padova, Italy

Characterization of nanograined powder samples using the Rietveld method applied to electron diffraction ring patternsE-mail: [email protected]

MS09-P12M.D. Raven a, S.L. Birch b

aCSIRO Land and Water, Adelaide, South Australia bCSIRO Mineral Resources, Adelaide, South Australia

Outcomes of an International Round Robin on Iron Ore AnalysisE-mail: [email protected]

MS09-P13S.V. Cherepanova a,b, N.N. Leonteva c

aBoreskov Institute of Catalysis, Novosibirsk, Russia bNovosibirsk State University, Russia cInstitute of Hydrocarbons Processing, Omsk, Russia

Simulation of the disordered structures and PXRD patterns for phases arising during thermal decomposition of Mg-Al and Mg-Ga layered double hydroxides and after rehydration of mixed oxidesE-mail: [email protected]

101


MS09-P14G. Confalonieri a, M. Dapiaggi a, V. Buscaglia b, G. Canu b, A. Bernasconi c, A. Pavese a

aDepartment of Earth Sciences, University of Milan, Milano, Italy bIENI-CNR, Genova, Italy cEuropean Synchrotron Radiation Facility, Grenoble, France

Pair Distribution Function: a B cation disorder in cerium doped BaTiO3 E-mail: [email protected]

MS09-P15R. Kužel a, M. Dopita a, J. Buršík b, R. Uhrecký b

aDepartment of Condensed Matter Physics, Charles University in Prague, Czech Republic bInstitute of Inorganic Chemistry, Academy of Sciences of the Czech Republic, Rez near Prague, Czech Republic

Growth and structural studies of oriented Y-type ferrites thin films prepared by chemical solution deposition method on magnetoplumbite and spinel ferrites template layersE-mail: [email protected]

MS09-P16A. Cervellino a, R. Frison b, A. Guagliardi c, M. Dapiaggi d, L. Pagliari daSwiss Light Source, Paul Scherrer Institut, Villigen, Switzerland bDepartment of Chemistry, University of Zurich, Switzerland cIC &To.Sca.Lab, CNR, Como, ItalydDepartment of Earth Sciences, University of Milan, Italy

Combining Modulation Enhanced Anomalous Diffraction with the Debye Scattering EquationE-mail: [email protected]

MS09-P17C.L. Azanza-Ricardo a, R. Esparza a, C. Rodríguez-Proenza b, D. Bahena c

aCFATA, UNAM, Querétaro, 76230, MéxicobPosgrado en Ciencia e Ingeniería de Materiales, CFATA, UNAM, Querétaro, 76230, México.cLaboratorio Avanzado de Nanoscopia Electrónica, CINVESTAV-IPN, México D.F., 07360, México

A molecular-dynamics study of structural and physical properties of Pt-Pd cuboctahedron nanoclusters alloys before and after meltingE-mail: [email protected]

102


MS12-High pressure diffraction

MS12-P01D. Comboni a, P. Lotti b, G.D. Gatta a,c

aDipartimento di Scienze della Terra, Università degli Studi di Milano, Italy bElettra Sincrotrone Trieste S.c.P.A., Italy cCNR - Istituto di Cristallografia, Bari, ItalyCrystal-fluids interaction in zeolites at high pressure E-mail: [email protected]

MS12-P02J.-E. Jørgensen a, Y. Filinchuk b, V. Dmitriev c

aDepartment of Chemistry, Aarhus University, DenmarkbInstitute of Condensed Matter and Nanosciences, Université Catholique de Louvain,Place L. Pasteur, B-1348, Louvain-la-Neuve, BelgiumcSwiss-Norwegian Beam Lines, European Synchrotron Radiation Facilities, BP 220, F-38043 Grenoble Cedex, France

High-pressure X-ray diffraction study of GaF3


MS12-P03A. Cuesta a, A.G. De la Torre b, I. Santacruz b, C. Popescu a, M.A.G. Aranda a,b

aALBA synchrotron, Carrer de la Llum, 2-26, E-08290 Cerdanyola del Vallés, Barcelona, SpainbDepartamento de Química Inorgánica, Cristalografía y Mineralogía, Universidad de Málaga, 29071-Málaga, Spain

Applications of synchrotron x-ray powder diffraction in hydrated cements: high-resolution and high-pressure studiesE-mail: [email protected]

MS12-P04P. Ramaswamy a, P.G. Yot a, L. Vanduyfhuys b, P. Fabry c, E. Alvarez c, T. Devic c, C. Serre c, V. Van Speybroeck b, G. Maurin a

aICGM, Université de Montpellier, CC15005, Pl. E. Bataillon, F-34095 Montpellier cedex05, FrancebCentre for Molecular Modeling, Ghent University, Technologiepark 903, B-9052, Zwijnaarde, BelgiumcInstitut Lavoisier Versailles,Université de Versailles St-Quentin, 45, av. des Etats-Unis, F-78035, Versailles cedex, France

Mechanical Properties of the isostructural Gallium and Aluminum Fumarate Metal-Organic Frameworks: A Joint Experimental-Modelling ExplorationE-mail: [email protected]

103


AUTHOR INDEX

AAatiq; 61Abakumov; 64Abdellatief; 33; 37; 90Abdurakhimov; 90Abeykoon; 64Abrasonis; 60Actiņš; 74Adam; 98Adamczyk; 98Agostini; 51Alabi; 90Alarcón; 90Alcobe; 83Aleshina; 80Alig; 80Altamura; 78Altomare; 9; 10; 12; 20; 26; 27; 57; 58Alvarez; 102Álvarez-Pinazo; 87Amigó; 90Ammar; 73; 92Andersen; 71Andji; 71Antonio; 94Aparicio; 92Aranda; 87; 93; 102Arcon; 64Arletti; 61Arriortua; 67Audebrand; 9Averianova; 99Avitabile; 91Aza; 64Azanza-Ricardo; 101

BBabalola; 90Bacchi; 56Baehtz; 60Baerlocher; 59Bahena; 101Bais; 78Bajpe; 52Balagurov; 96Balakrishnan; 64Baldassarre; 69Balmes; 69; 87; 88Balogh-Michels; 70

Ban; 96Barbour; 62; 63Barreiro; 56Barrier; 28; 32; 33; 35; 65Bauer; 53; 68Becker; 90Beckers; 38; 40; 62Bednarcik; 86Behrooz; 68Belaaouad; 57Belhabra; 57bellefqih; 61Benediktovitch; 33; 34Ben Haj Amara; 66; 73; 92Ben Hassen; 58Beran; 69Berghäuser; 86Berkes; 94Berkowski; 68Bernasconi; 51; 98; 101Bertolotti; 28; 30; 98Bērziņš; 74Bette; 53Bevernage; 73Beyer; 54Billing; 70Billinge; 52; 53; 64Birch; 100Birgisson; 81; 93Birkedal; 33; 35Bish; 90Blanton; 75Bobrikov; 96Bodach; 80Bodoardo; 83Bøjesen; 71Bolshakov; 95Bombardi; 28; 29Bordet; 9Bortolotti; 78Bosnar; 66Boudar; 61Boughzala; 82Bowron; 51Bozin; 22; 33; 34; 52; 64Braga; 72Brant; 97Bräunig; 60Braz Fernandes; 68; 93Bremholm; 28; 29

104


Brezesinski; 94Brückel; 84Brunelli; 9; 21; 33; 34; 35; 51; 54Buckley; 81; 95Bulavchenko; 96Buršík; 101Buscaglia; 101Bushmarinov; 28; 31

CCalatayud; 90Calderon; 78Caliandro; 28; 29; 34; 35Calvo; 83Campbell; 57Canossa; 56Canu; 101Čapek; 85Cappelletto; 73Cappuccino; 38; 40Carlsson; 95Casas; 59Casas–Cabanas; 38; 42Casati; 38; 43; 95; 96Casini; 54Cedervall; 69Ceola; 51Cerhová; 66Cernik; 9; 22; 33; 35; 80Černý; 23; 28; 29; 30; 38; 42; 96Cervellino; 75; 98; 101Chahine; 70Chang; 59Chapman; 21; 28; 29; 30; 54Chateigner; 23; 38; 39Chater; 33; 37Checchia; 54Cheda; 58Cherepanova; 96; 100Chernikov; 79Chinga Carrasco; 99Chizhov; 86Cho; 59Chráska; 99Christensen; 28; 32; 71Christopoulou; 62Cinert; 99Ciomaga Hatnean; 64Ciriaco; 58Cliffe; 28; 30Cline; 38; 39; 86Coates; 51Cockcroft; 77

Coduri; 54Coelho; 53Colombo; 59Comboni; 102Confalonieri; 94; 101Connelly; 80Conrad; 84Cooper; 51Cordon; 83Correll; 92Corriero; 10; 34; 35; 57; 58Costa; 56; 60; 74Coutard; 62Crespi; 56Crichton; 38; 43Cruciani; 21; 38; 41; 42; 43Cuesta; 87; 102Cuocci; 10; 24; 57; 58Czech; 68Czerwinski; 65

DDadivanyan; 54Daemen; 52Damay; 65Daniš; 66Dapiaggi; 33; 34; 51; 94; 98; 101da Silva; 56David; 9; 20; 22; 26; 27; 28; 31; 32De Baerdemaeker; 56Degen; 62De la Torre; 87; 93; 102De Pascalis; 78Dercz; 68De Riccardis; 62; 63Devic; 102De Vos; 56Deyneko; 67; 68Dhlamini; 91Di Michiel; 33; 36Dinescu; 89Dinnebier; 21; 33; 36; 37; 38; 40; 53; 95Di Renzo; 61Dirin; 98Dmitriev; 102Dommann; 70Donner; 52Dopita; 54; 60; 101Drathen; 53; 62; 63Dronskowski; 84Dubinin; 56Dubrovinsky; 38; 43Dudek; 66; 99

105


Dulski; 99Dumitru; 89Dunstan; 33; 36Durniak; 92

EEchevarria-Bonet; 83Ectors; 91Edström; 97Efimov; 79Efimova; 79Egan; 80Ehnes; 86Ehrenberg; 52El Ashmawy; 90Elkaïm; 70Elomari; 59Emerich; 51Emmerling; 98Ergunt; 80Eriksson; 9; 60Ermrich; 76Erni; 70Esmaeili; 76Esparza; 101Etter; 86; 95Evans; 53; 57

FFabry; 102Fahim; 57Fairbank; 51Fakhreddine; 61Falcicchio; 10; 31; 32; 57; 58Fanelli; 58Farha; 95Farinella; 72Fauth; 65Fawcett; 75Ferrari; 83Ferreira; 56; 60; 74; 81; 83Fertey; 78Feyen; 56Feygenson; 54; 86Figueiredo; 74Filatov; 98Fili; 62Filinchuk; 38; 42; 96; 102Filip C.; 73Filip J.; 92Filip X.; 73Fink; 56; 80Finsterbusch; 67

Fischer; 97Fitch; 9; 21; 23; 33; 37; 38; 41; 42; 43; 62; 63Fleaca; 89Flötgen; 70Fosbøl; 81Föttinger; 54Francescon; 94; 98François; 55Fransen; 9Friedel; 99Friščić; 95Frison; 36; 37; 101Frontera; 56

GGalli; 94Gallo; 63Gan; 67García Hernández; 55García-Maté; 87Gateshki; 54; 79Gates-Rector; 75Gatta; 23; 38; 43; 102Geddes; 52Gemming; 60Gerasimov; 96Germann; 95Gesing; 79; 97Geßwein; 94Giacobbe; 94Giacovazzo; 20; 26; 27Gialanella; 100Giannini; 78Gies; 56; 93Gigli; 61Goetz-Neunhoeffer; 91Golesorkhi; 62Golovko; 89Goodwin; 9; 22; 28; 30; 51; 52; 54Goryczka; 66Gozzo; 23; 38; 41; 75; 76Graf; 87Graiff; 56Granados-Miralles; 71Grandeury; 38; 41Grimaldi; 91Grins; 70Grochala; 71Gross; 100Grosu; 73Grzesiak; 60Gržeta; 66Gu; 64

106


Guagliardi; 9; 22; 28; 30; 98; 101Guarino; 91Gubaidullin; 99Guc; 83Guénée; 62Guillon; 67Guillot-Deudon; 78Guillou; 70Gunnarsson; 69Gustafsson; 97

HHaase; 87; 88Haberkorn; 53; 68Habermehl; 55Haddad; 60; 69Haigh; 33; 35Halasz; 95Halstead; 85Hammer; 55Hansen; 38; 42; 69Hartmann; 92Hasse; 87Hattan; 88Havlíček; 82Hayward; 54He; 99Henins; 86Hennig; 51Henry; 28; 32; 86Hill; 64Hillier; 75Hinterstein; 38; 39; 52; 67Hoelzel; 67Holý; 33; 34Horechyy; 99Houben; 84; 86Hudson; 86Humphries; 95Huot; 82Huq; 64; 79; 85Huskić; 95

IIbiapino; 74Ida; 88Igartua; 67Ikeda-Ohno; 51Indris; 52Iordache; 76Ito; 86Ivanshina; 96Iversen; 81; 84; 93

Izquierdo-Roca; 83Izzo; 62; 63

JJacobs; 28; 31; 84; 86Jacques; 33; 35; 80; 82Jäger; 98Janek; 94Janke; 99Jaroń; 71Javadian; 81Jawhari; 83Jehnichen; 99Jensen; 20; 25; 26; 27; 38; 41; 42; 43; 71, 81Jobic; 78Jorda; 28; 31Jørgensen; 9; 22; 28; 32; 84; 102Joseph; 38; 43Juhás; 53Jung; 70

KKabukcuoglu; 80Kadletz; 67Kahlenberg; 92Kajewole; 90Kalay; 80Kamiyama; 76Kang; 64; 100Kantor; 84Karavassili; 38; 40; 62Karpinsky; 79Kawaguchi; 59Keckes; 38; 39Keen; 54Kennedy; 65Kern; 9; 53Khalifah; 82Kheireddine; 57Kibasomba; 91Kickelbick; 53; 68Kim; 58; 64; 100Kimpton; 96Kimura; 38; 40Kjeldgaard; 93Kleeberg; 52Kleine; 87Knapp; 52Knudsen; 84Kochetygov; 98Kojdecki; 90Kolb; 38; 41; 61Konaka; 94

107


Kondrakov; 94Kondrotas; 83Kons; 74Kontos; 69Konya; 85; 87Korenev; 98Korwitz; 99Kotrlý; 81Kouakou; 71Kouvatas; 33; 36Kovalenko; 98Koziej; 33; 36Kozlov; 86Krause; 60Kremenovic; 9Krüger; 98Kryshtab; 78Kryvko; 78Kuncser; 89Kurbakov; 57Kužel; 9; 54; 101Kuznetsova; 99

LLafond; 78Langreiter; 92Lappas; 33; 34; 64Łasocha; 60; 61Lausi; 23; 33; 37Lavigna; 94Lazoryak; 67; 68Lee; 65Leineweber; 23; 38; 39; 89; 90Leo; 91Leonardi; 90Leoni; 58; 89; 91Leonidov; 67Leonidova; 67León-Reina; 87; 93Leonteva; 100Lerner; 80Levin; 89Lewis; 53; 57Lezama; 67Liermann; 86Lieutenant; 86Lima; 56Lindahl Christiansen; 81; 93Lixandrão; 81Lo; 69Lobanov; 86Londono-Zuluaga; 93Lorenz; 74

Lotti; 102Luculescu; 89Lukáč; 99Lukashuk; 54Lundegaard; 95Lutterotti; 34; 35; 36; 37; 38; 39; 78; 100Lützenkirchen-Hecht; 66

MMaaza; 91Macedi; 62; 63Machala; 92Mahdi; 66Maini; 72; 76Málek; 66; 99Malyshev; 57Manuel; 28; 32Marchoud; 61Margiolaki; 9; 23; 38; 40; 62Martin; 65; 73Martínez-Casado; 58; 69; 87; 88Martucciello; 91Masciocchi; 98Maspero; 94Matěj; 54; 69; 87; 88Matějová; 66Matsubara; 65Matuła; 68Matveeva; 61Maurin; 70; 102Maurina; 51Mazzeo; 75; 76McCusker; 22; 28; 31; 59Meli; 62; 63Mellouk; 61Mendenhall; 86Meng; 56Meyer; 98Meynendonckx; 73Michaelsen; 87Miclaus; 73Mikhalychev; 59Mikula; 85Miranda; 93Missyul; 95Misture; 75Mitchell; 52Moliterni; 10; 57; 58Molnárová; 99Mompean; 55Monti; 72Morales-Cano; 95Moscheni; 98

108


Motylenko; 100Moutaabbid; 57Mukhortov; 89Müller; 56; 84; 93Murshed; 79; 97Mwakikunga; 91

NNacucchi; 78Nagao; 87Nakanishi; 88Näther; 99Neder; 21; 28; 29; 30Neels; 9; 22; 28; 29; 33; 34; 70Neerup; 81Negri; 58Neilson; 85Nénert; 33; 35; 62; 79Neubauer; 91Neumann; 38; 41Nicolopoulos; 23; 38; 41Niculescu; 89Nielsen; 92Nigro; 91Nikulina; 96Nofz; 98Novoa de Armas; 38; 41; 73Novoselov; 79Nowak; 99

OObasuyi; 90Oishi-Tomiyasu; 60; 76Ojwang; 70Olds; 85Oliva; 83Oliveira; 68; 93Ono; 88Onur Şahin; 82Orayech; 67Orola; 74Ortatatli; 66Ortega-San-Martín; 67Oša; 74Osakabe; 86Ostermann; 98Oszajca; 60; 61Oueslati; 66; 73; 92Oumezzine; 55Ovesen; 95Ozawa; 86Öztürk; 82

PPaddison; 54Page; 52; 85Pagliari; 101Paiva-Santos; 94Pala; 99Panchenko; 85Papadakis; 99Pappas; 87Pardo; 90Park; 100Parlak; 80Pascarelli; 79Pastore; 78Paszkowicz; 9; 23; 38; 43; 68Paula; 68Pavese; 51; 94; 98; 101Pawełek; 57Payne; 57Pein; 84Pelagatti; 56Pelegrino; 69Penazzi; 83Peplinski; 98Pepponi; 58; 78Pereira; 60Perez Demydenko; 38; 39Pérez-Rodriguez; 83Perlich; 99Peszke; 99Peterson; 29; 30; 64; 85Petrii; 89Petrov; 99Petrova; 68Pierri; 62Piguet; 62Pistor; 83Plaisier; 90Playford; 54Podchezertsev; 57Podwórny; 57; 99Poineau; 65Pop; 76Popescu; 102Pospiech; 99Poulsen; 84Pownceby; 96Prabhakaran; 79Prado; 74Predieri; 56Prill; 53Prodi; 75; 76Puhr; 84

109


QQuartieri; 61

RRafaja; 9; 22; 33; 34; 54; 60; 100Rafalska-Lasocha; 60Ramaswamy; 102Ramos-Riesco; 58Ramsahye; 70Randau; 67Ranocchiari; 95Raucci; 78Raven; 100Razumnaya; 89Rebuffi; 73Redondo Yélamos; 58Reinle-Schmitt; 76Reinsch; 98Reiss; 54Rekis; 74Rennie; 77Reppert; 67Reynolds; 65Rietveld; 20; 26; 27Rigo; 94Riktor; 51; 83Ritter; 79Rius; 9; 22; 28; 31; 56; 59Rizzelli; 62Rizzi; 10; 57; 58; 83Rod; 92Rodrigues; 68Rodríguez-Carvajal; 21; 28; 31; 32; 38; 40Rodríguez-Proenza; 101Rojo; 67Romano; 91Rosmaraki; 62Ross; 51Rousse; 23; 28; 32; 38; 42Rowles; 85; 95Rudolph; 100Rupprechter; 54

SSadikin; 96Sahlberg; 69Sakuma; 88Salomon; 54Samigullin; 80Samoylova; 96Samtleben; 92Santacruz; 87; 93; 102

Santos; 69Sarceviča; 74Šarić; 66Šaroun; 85Sasaki; 94Sato; 74Saucedo; 83Saura-Múzquiz; 71Savenko; 79Scardi; 9; 20; 21; 26; 27; 28; 30; 38; 39; 40; 73Scavini; 54Scharf; 98Scheinost; 51Schelhas; 96Schlesinger; 55Schmahl; 67Schmidt; 53; 55; 56Schneider; 97Schökel; 86Schönbeck; 79Schorr; 84Schuck; 84Schulli; 21; 33; 34; 35Schwark; 86Schweika; 33; 37; 84; 86Seabra; 69Sebold; 67Šehović; 97Seller; 80Senyshyn; 97Sepe; 99Serafini; 100Serre; 70; 102Shamshabadi; 77Shatnawi; 52Shen; 93Sheppard; 81; 95Shiramata; 85; 87Shpanchenko; 95Sibille; 55Sidorova; 80Sikolenko; 79Silibin; 79Siliqi; 31; 32; 69; 78Šišak Jung; 33; 37Slater; 51Smeets; 59Smith; 62; 63Sofianos; 95Sohn; 67Sommariva; 54Sommer; 94Son; 58Sørby; 38; 42

110


Spencer; 51Spillman; 28; 31Stack; 52Ståhl; 22; 28; 29; 81Starobrat; 71Stefanovich; 67; 68Steitz; 95Steunou; 70Stöcker; 100Stokes; 57Stone; 28; 30; 96Striukov; 89Sugimoto; 59Sumnikov; 96Svedlindh; 69Svensson; 70Szabo; 86

TTachiki; 88Taddei; 95Takemoto; 59Tang; 33; 37; 69Tapmeyer; 73Tashmetov; 90Tassone; 96Tedesco; 23; 38; 40; 62; 63Ternieden; 66Thompson; 51Thorogood; 65Thygesen; 54Tigha; 61Tiruvalam; 95Tita; 94Tiutiunnikov; 79Többens; 84Tobon; 93Toney; 96Toraya; 75Totzauer; 55Towata; 88Tranquada; 64Tridane; 57Troyanchuk; 79Tsang; 69Tserkovnaya; 57Tsybulya; 96Tucker; 54Tumanov; 96Turan; 80Turchenko; 79Tyrsted; 95

UUfer; 52Uhrecký; 101Ulyanenkov; 59Urcelay-Olabarria; 67Užarević; 95

VVacaliuc; 64Vallcorba; 56; 59; 87Valmas; 38; 41; 62van Beek; 23; 33; 36van Bokhoven; 95Vanduyfhuys; 102van Eijck; 87Vankova; 38; 42; 83Van Petegem; 21; 38; 39; 40Van Speybroeck; 102van Well; 87Vanzetti; 58Vasile; 89Veale; 80Vecchione; 91Veligzhanin; 79Versaci; 83Vik; 82Violini; 86von Känel; 70Vrána; 85Vrankić; 66

WWachi; 88Wada; 88Wagner; 80Wallrafen; 55Wang; 52; 70Wardecki; 70Webster; 96Wegner; 71Weidenthaler; 23; 33; 36; 66Weiss; 51Wendt; 86Werner; 60Wetzel; 90Whitfield; 9; 21; 33; 36; 37; 64; 82; 85Wills; 21; 28; 31; 32Wilson; 80Wind; 28; 29Windover; 86Wragg; 33; 36Wright; 22; 33; 35; 62; 98

111


Wüstefeld; 60

XXiao; 56Xie; 59

YYakimov; 56Yamano; 85; 87Yasar; 80Yavuz; 52Ye; 69Yilmaz; 56Yin; 64Yot; 38; 43; 102Yuzyuk; 89

ZZaharko; 79Zaloga; 56Zänker; 51Zhang; 54; 70Zhou; 85Zienert; 90; 100Zobel; 28; 30Zones; 59Zorko; 64Zubko; 68Zweiacker; 70

112


VENUE

The NICOLAUS HotelVia Cardinale Agostino Ciasca, 27, Bari, Tel. +39- 080-568 2111

http://www.thenicolaushotel.com/en/

113


Notes

114


Notes

www.ba.ic.cnr.it/epdic15/

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