13th European Powder Diffraction Conference Grenoble…epdic13.grenoble.cnrs.fr/IMG/file/documents/Program_Booklet_A5.pdf · 13th European Powder Diffraction Conference Grenoble,

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13th European Powder Diffraction Conference Grenoble, 28-31 October 2012

EPDIC13

Program Booklet


EPDIC13

13th European Powder DIffraction Conference

Grenoble, 28-31 October 2012

Programme booklet







Committees

EPDIC13 – 28-31 October 2012, Grenoble Page 8

Committees EPDIC Scientific Committee: N. Audebrand, Rennes, France P. Bordet, Grenoble, France R. J. Cernik, Manchester, UK – Vice Chairman R. Černý, Geneva, Switzerland W. I. F. David, ISIS, Oxon, UK A. N. Fitch, ESRF, Grenoble, France H. Fuess, Darmstadt, Germany A. Guagliardi, Bari, Italy T. Gustafsson, Uppsala, Sweden S. A. Ivanov, Moscow, Russia J. E. Jørgensen, Aarhus, Denmark A. Kern, Bruker AXS, Karlsruhe, Germany R. Kužel, Prague, Czech Republic C. Lengauer, Vienna, Austria I. Margiolaki, Grenoble, France A. Meden, Ljubljana, Slovenia B. Palosz, UNIPRESS, Warsaw, Poland D. Rafaja, Freiberg, Germany J. Rius, Barcelona, España P. Scardi, Trento, Italy – Chairman A. Vermeulen, PANalytical, Almelo, The Netherlands U. Welzel, Stuttgart, Germany - Vice-Chairman

EPDIC13 Local Organising Committee: Pierre Bordet, Institut Néel, CNRS/UJF, Chairman Gavin Vaughan, ESRF, Secretary Michela Brunelli, ILL, Secretary Thomas Hansen, ILL, Treasurer Jean-François Bérar, ESRF, Institut Néel, CNRS/UJF Caroline Curfs, ESRF Eric Dooryhee, BNL Upton, USA Eric Elkaïm, SOLEIL Synchrotron, Saint-Aubin Andrew N. Fitch, ESRF René Guinebretière, SPCTS, Limoges Céline Haranczyk, CNRS Jean-Louis Hodeau, Institut Néel, CNRS/UJF Olivier Isnard, Institut Néel, CNRS/UJF Olivier Leynaud, Institut Néel, CNRS/UJF Pauline Martinetto, Institut Néel, CNRS/UJF Mohammed Mezouar, ESRF Stéphane Pignard, LMGP, Phelma-Grenoble-INP Quentin Richard, CNRS Juan Rodríguez-Carvajal, ILL Emmanuelle Suard, ILL Olivier Thomas, IM2NP, CNRS/University Paul Cezanne, Marseille Jonathan Wright, ESRF

Table of Contents


Table of Contents

Committees .......................................................................... 8

Workshops ......................................................................... 10

Programme overview ........................................................ 13

Scientific Programme – Sunday, 28 October 2012 ........... 17

Scientific Programme – Monday, 29 October 2012 ......... 18

Scientific Programme – Tuesday, 30 October 2012 ......... 22

Scientific Programme – Wednesday, 31 October 2012 .... 26

Poster presentations ........................................................... 31

Index of Chairs and Presenting Authors ........................... 55

Notes .................................................................................. 58

Sponsors and Commercial Exhibition ............................... 62

Social Program .................................................................. 64

Maps .................................................................................. 65

Workshops


Workshops

Lachlan’s Software Fayre

During the EPDIC 13 Conference, there will be a Software Fayre, for the demonstration of free and/or open-source software used for the analysis of powder diffraction data.

This follows the fayres which were organized by Lachlan Cranswick at previous EPDIC, ECM and IUCr meetings (now continued also by Martin Lutz). This fayre, like his contributions to the CCP14 project or the Nexus CD, have helped many young scientists around the world grasp crystallographic knowledge and handling of X-ray and neutron scattering data

The presentations will take place during the lunches (sandwiches will be provided for the first 50 attendees) and the poster sessions. Its location will be the meeting room B222/B223.

http://epdic13.grenoble.cnrs.fr/�

http://journals.iucr.org/j/issues/2010/05/01/es0383/index.html�

http://lachlan.bluehaze.com.au/�

http://www.cryst.chem.uu.nl/lutz/software_fayre.html�

Workshops


Schedule This is the schedule at time of printing; please refer to http://vincefn.net/drupal/?q=EPDIC13SoftwareFayre or to the information panels for more recent updates.

• Monday 29th: o (lunch) 12:00-12:45: Luca Lutterotti: How to automatise your work

with MAUD and new advanced features for structure solution and combined analyses

o (lunch) 12:45-13:30: Oriol Vallcorba / Jordi Rius: Direct-Space program TALP for solving crystal structures from powder data

o (poster) 15:30-16:10: Vincent Favre-Nicolin/Radovan Černý: ab initio structure solution in direct space using Fox

o (poster) 16:10-16:50: Jérôme Kieffer: presentation of pyFAI, a python library for fast Azimuthal Integration of 2D powder diffraction images

o (poster) 16:50-17:30

• Tuesday 30th: o (lunch) 12:00-12:45: Bob von Dreele: presentation of GSAS II o (lunch) 12:45-13:30: Simon Billinge: Life beyond PDFgui:

PDFgetX3, SrFit and SrReal. From raw data to flexible Complex Modeling of atomic pair distribution function total scattering data

o (poster) 15:30-16:10: Anna Moliterni: EXPO, structure solution in direct and reciprocal space

o (poster) 16:10-16:50: Luca Lutterotti: Automatic Rietveld-Search-Match using the COD database: a new "one-step, know-nothing" analysis tool for QPA

o (poster) 16:50-17:30:

• Wednesday 31th: o (lunch) 12:00-12:45: Juan Rodriguez-Carvajal: structure refinement

using Fullprof o (lunch) 12:45-13:30:

To book one slot for a software demonstration, send an email to [email protected]. Please supply a title as well as software title and web link to the location where your software can be downloaded.

Note that depending on the number of presenters, the sessions may be shortened to 30 minutes.

http://vincefn.net/drupal/?q=EPDIC13SoftwareFayre�

http://www.ing.unitn.it/~maud/�

http://www.icmab.es/crystallography/software�

http://objcryst.sf.net/�

https://forge.epn-campus.eu/documents/413�

https://subversion.xor.aps.anl.gov/trac/pyGSAS�

http://www.diffpy.org/�

http://www.diffpy.org/�

http://wwwba.ic.cnr.it/content/expo2009�

http://www.ill.eu/sites/fullprof/�

mailto:[email protected]?subject=EPDIC13%20Softare%20Fayre�

mailto:[email protected]?subject=EPDIC13%20Softare%20Fayre�

Workshops


Satellite Workshops

Satellite Workshop 1

Colloquium in honour of Alan Hewat

This workshop is organized by the Institut Laue Langevin, Grenoble, and will take place at the ILL on Friday, October 26. Registration can be made at : http://www.ill.eu/news-events/events/alan-hewat-colloquium/

Satellite Workshop 2

ICDD workshop: Materials Identification - X-rays, Electrons, Neutrons & Synchrotron

The International Centre for Diffraction Data workshop will take place on Sunday, October 28 from 13:00-17:00, as part of the EPDIC13 meeting. This workshop will discuss basic materials identification processes, along with new procedures and tools adapted for specific analyses. Please beware that the location of the ICDD workshop has been modified The workshop will be held in Hotel Europole, close to the Grenoble train station (see map page 70). Additional information will be sent to the registered persons.

Meetings

TOF meeting

"Discussion on neutron diffraction software need for TOF sources" Monday 29 October, 15:30-17:00, meeting room B220/221 during the coffee break/poster session.

Bruker Users’ Meeting

Monday 29 October, 12:00-13:30, meeting room B222/223 during lunch.

PANalytical Users’ Meeting

Wednesday 31 October, 12:00-13:30, meeting room B222/223 during lunch.

EPDIC Committee Closed Meeting

Tuesday 30 October, 12:00-13:30, meeting room B222/223 during lunch.

http://www.ill.eu/news-events/events/alan-hewat-colloquium/�

Programme overview


Programme overview

Sunday 28 October 2012

Hotel Europole Reception Hall Minatec

Conference Hall Exhibition Hall

13:00

13:30

14:00

14:30 ICDD Workshop

15:00

15:30

16:00

16:30

17:00 Registration

17:30 Welcome Ceremony

18:00 Laue Centenial

18:30

Distinguished Powder Diffractionist Award

19:00

19:30 Welcome Party

Programme overview


Monday 29 October 2012

Minatec

Conference Hall Phelma

Conference Hall Meeting Room

B222/B223 Meeting Room

B220/B221 08:30

D. Keen 09:00 Total Scattering

Techniques 09:30 Coffee 10:00

MS04 MS01 10:30 Combined Methods for

Structure Solution Investigation and 3-D

imaging

Total Scattering Techniques and

Disorder

11:00

11:30

12:00

Lunch Lachlan's BRUKER 12:30

in Phelma Restaurant Software Fayre Workshop 13:00

13:30

MS03 MS12 14:00

Powder Diffraction for Biological and Molecular

Materials Advances in diffraction

Line Profile Analysis

14:30

15:00

15:30

Poster Session PS1 16:00

(and coffee) Lachlan's TOF 16:30

in Minatec Exhibition Hall Software Fayre meeting 17:00

17:30

V. Favre-Nicolin 18:00 X-rays Nano-Imaging of

single objects 18:30

19:00

Cultural Event

Musée de Grenoble

Programme overview


Tuesday 30 October 2012

Minatec Conference

Hall Phelma



B220/B221 08:30

H. Chapman 09:00 X-FEL

09:30 Coffee 10:00

MS02 MS10 10:30

Ab initio Structure Solution Neutron Structural and Magnetic Scattering

11:00

11:30

12:00

Lunch Lachlan's EPDIC 12:30

in Phelma Restaurant Software Fayre Committee 13:00

Closed

Meeting 13:30

MS11 MS07 14:00

Structure and Properties of Functional Materials

Texture and residual stress analysis

14:30

15:00

15:30

Poster Session PS2 16:00

(and coffee) Lachlan's 16:30

in Minatec Exhibition Hall Software Fayre 17:00

17:30

J. Rodríguez-Carvajal 18:00 Advances in Rietveld

refinement: a review 18:30

19:00

Gala Dinner

Château du Touvet

Programme overview


Wednesday 31 October 2012

Minatec

Conference Hall Phelma



B220/B221 08:30

M. H. Sørby 09:00 Hydrogen Storage and

energy related Materials 09:30 Coffee 10:00

MS8 MS6 10:30

In situ, In Operando Studies

Progress in Instrumentation

11:00

11:30

12:00

Lunch Lachlan's PANALYTICAL 12:30

in Phelma Restaurant Software Fayre Workshop 13:00

13:30

MS9 MS5 14:00

Nanomaterials, thin films and Interfaces

Materials for Sustainable Develoment

14:30

15:00

15:30 Coffee

16:00 B. B. Iversen

16:30 Chargte Density Analysis

via powder diffraction

17:00 Young Scientist Award

17:30

18:00 Closing Ceremony

Scientific Programme – Sunday, 28 October 2012


Scientific Programme – Sunday, 28 October 2012

1300 – 1700 ICDD Workshop (Hotel Europole) See page for 14 for details on location and content

1530 – 1930 Registration (Minatec centre reception Hall)

1730 – 1930 Welcome Ceremony Introduction by P. Bordet, Chairman of Epdic13

Laue Centenial From the discovery of x-ray diffraction by single crystals to the first diffraction experiment on polycrystalline samples R. Guinebretière SPCTS, ENSCI, Limoges, France

Distinguished Powder Diffractionist Award (Sponsored by Bruker-AXS) Christian Baerlocher ETH Zürich, Switzerland

1930 Welcome Party See page 66 for details

Scientific Programme – Monday, 29 October 2012



830–930 Plenary Lecture (Minatec Conference Hall) Chair: Simon Billinge

Total Scattering Techniques David A. Keen ISIS Facility, Rutherford Appleton Laboratory, U.K. and Department of Physics, Oxford University, U.K

930 – 1000 Coffee Break (Exhibition Hall)

1000 – 1200 Microsymposia – Parallel Session 1 (Minatec Conference Hall) MS04 Combined Methods for Structure investigation and 3-D Imaging Chairs: Gavin Vaughan (Grenoble/France), Radovan Černý (Geneva/Switzerland)

1000 – 1030 MS04-K1: Towards 4D grain mapping on the nanoscale H.F. Poulsen Technical University of Denmark, Denmark

1030 – 1100 MS04-K2: Structure investigation of complex systems by multi-technique approaches and modulated enhanced diffraction Marco Milanesio DiSIT, Università del Piemonte Orientale "A. Avogadro », Alessandria, Italy

1100 – 1115 MS04-O1: Combining X-ray powder diffraction electron diffraction and IR spectroscopy A. K. Inge Berzelii Center EXSELENT on Porous Materials and Department of Materials and Environmental Chemistry, Stockholm University, SE-106 91 Stockholm, Sweden

1115 – 1130 MS04-O2: Complex Hydrides: When Powder Diffraction reaches its Limits P. Schouwink Laboratory of Crystallography, University of Geneva, Switzerland

1130 – 1145 MS04-O3: The application of Strain Tomography Technique using Synchrotron X-ray Diffraction and Tomography. N. Baimpas University of Oxford, Dept. of Engineering Science, UK

1145 – 1200 MS04-O4: Diffraction Tomography with deep sub-micrometer resolution: the coarse grain case A. Bonnin CEA, DEN, DEC, Cadarache, Saint Paul lez Durance, France ESRF, Grenoble Cedex, France



1000 – 1200 Microsymposia – Parallel session 2 (Phelma Conference Hall) MS01 Total Scattering Studies and Disorder Chairs Michela Brunelli (Grenoble, France), Martin U. Schmidt (Frankfurt am

Mainz, Germany)

1000 – 1030 MS01-K1: PDF and total scattering studies: Looking at materials on the nanoscale Simon J. L. Billinge Columbia University, Brookhaven National Laboratory, USA

1030 – 1100 MS01-K2: Order within Disorder: Amorphous MOFs, Frustrated Magnets, and Nanocrystallography A. L. Goodwin University of Oxford, U.K.

1100 – 1115 MS01-O1: Mechanisms of SnO2 nanoparticle formation: An in situ total scattering study Kirsten M. Ø. Jensen Center for Materials Crystallography, Department of Chemistry and iNANO, Aarhus University, Aarhus, Denmark

1115 – 1130 MS01-O2: Pressure-induced amorphous-amorphous phase transition and formation of ‘aragonitic’ amorphous calcium carbonate L. Fernandez-Martinez CNRS & Univ. Grenoble I, France Lawrence Berkeley National Laboratory / USA

1130 – 1145 MS01-O3: A neutron and X-ray total scattering study on the local structure of Si-Al-Ca-Na-O glasses A. Bernasconi Earth Science Department, University of Milan, Italy

1145 – 1200 MS01-O4: Pair Distribution Function analysis of disordered precursors of M1, M2 and Mo5O14-lile structures in Mo-V-(Nb/Te) oxide catalysts. T. Yu. Kardash Boreskov Institute of Catalysis SB RAS, Russia Novosibirsk State University, Russia

1200 – 1330 Lunch (in Phelma Restaurant) + Coffee (in Exhibition Hall)

1200 – 1330 Lachlan’s Software Fayre (rooms B222/B223 in Minatec Building)

1200 – 1330 BRUKER Workshop (rooms B220/B221 in Minatec Building)



1330 – 1530 Microsymposia – Parallel session 1 (Minatec Conference Hall) MS03 Diffraction for Biological and Molecular Materials Chairs Jonathan Wright (ESRF / FR), Irene Margiolaki (University of Patras / GR)

1330 – 1400 MS03-K1: Protein Polycrystallography R.B. Von Dreele Advanced Photon Source, Argonne National Laboratory, Argonne, USA

1400 – 1430 MS03-K2: Monitoring protein precipitates by in-house X-ray powder diffraction. Kenny Ståhl Department of Chemistry, Technical University of Denmark, Lyngby, Denmark

1430 – 1445 MS03-O1: Isomers of malaria pigment (beta hematin) Peter W. Stephens Dept. Physics & Astronomy, Stony Brook University, Stony Brook, NY USA

1445 – 1500 MS03-O2: Powder diffraction analysis of bio-inspired apatite NPs for drug-delivery. A. Guagliardi

Istituto di Cristallografia, CNR, Italy Università dell’Insubria, Italy

1500 – 1515 MS03-O3: Host-guest interactions in porous molecular solids by high resolution XRPD. C. Tedesco Università di Salerno, Italy

1515 – 1530 MS03-O4: A challenging pharmaceutical structure determination from X-ray powder data M.U. Schmidt Goethe-University, Frankfurt am Main, Germany



1330 – 1530 Microsymposia – Parallel session 2 (Phelma Conference Hall) MS12 Advances in Diffraction Line Profile Analysis Chairs Paolo Scardi (University of Trento, Italy), Thomas Hansen (ILL, France)

1330 – 1355 MS12-K1: Atomistic modeling of diffraction from nanocrystalline materials L. Gelisio

University of Trento, Italy

1355 – 1415 MS12-O1: Quantitative Fitting of DSE-generated diffraction line profiles to experimental X-ray data N. Thomas

Hochschule Koblenz, Germany

1415 – 1440 MS12-K2: The Certification of SRM 1979 for Analysis of Crystallite Size J.P. Cline NIST, Gaithersburg, MD, USA

1440 – 1500 MS12-O2: Calibration based models for turbostratic disordered nontronite quantification X. Wang

Centre for Materials Research, Curtin Univ., Australia

1500 – 1515 MS12-O3: Microstrain induced by thermal microstress in Zn and cementite (Fe3C) polycrystals A. Leineweber Max Planck Institute for Intelligent Systems, Stuttgart, Germany

1515 – 1530 MS12-O4: In-Situ Powder Diffraction Investigations of Thermal Stability of Submicrocrystalline Metals Prepared by Severe Plastic Deformation. R. Kužel Faculty of Mathematics and Physics, Charles University in Prague, Czech Republic

1530 – 1730 Poster session 1 + coffee (in exhibition hall)

1330 – 1530 Software Fayre (room B222/B223)

1730 – 1830 Plenary Lecture Chair: Peter Stephens

X-ray nano-imaging of single objects Vincent Favre-Nicolin CEA-UJF, INAC, SP2M, Grenoble, France Université de Grenoble-Alpes, Grenoble, France

1900 – Cultural Event – visit of Grenoble museum See page 66 for details on travel and event

Scientific Programme – Tuesday, 30 October 2012



830 – 930 Plenary Lecture (Minatec Conference Hall) Chair: Robert Cernyk

X-FEL Henry Chapman DESY, Hamburg, Germany


1000 – 1200 Microsymposia – Parallel session 1 (Minatec Conference Hall) MS02 Ab initio Structure Solution Chairs Anna Grazia Moliterni (CNR, Italy), Anton Meden (University of Ljubljana,

Slovenia)

1000 – 1030 MS02-K1: Structure solution of extended solids, principles and examples R. Černý University of Geneva, Switzerland

1030 – 1100 MS02-K2: The new COVMAP method in the EXPO package Angela Altomare Institute of Crystallography-CNR, Bari, Italy

1100 – 1115 MS02-O1: Application of cluster-based direct methods to powder diffraction. J. Rius Institut de Ciència de Materials de Barcelona (CSIC), Bellaterra, Catalunya, Spain

1115 – 1130 MS02-O2: Solving the structures of light-atom compounds with powder charge flipping Dubravka Šišak Laboratory of Crystallography, ETH Zurich, Switzerland

1130 – 1145 MS02-O3: The PXRD-BTEM-Rietveld Method: How to Obtain Structure Solutions from Multi Phase Powders: Martin Schreyer Institute of Chemical and Engineering Sciences, Singapore

1145 – 1200 MS02-O4: “Morse” restraints: a new approach to Rietveld-refined structure verification I. S. Bushmarinov A.N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences



1000 – 1200 Microsymposia – Parallel session 2 (Phelma Conference Hall) MS10 Neutron Structural and Magnetic Scattering Chairs Laurent Chapon (ILL, France), Denis Sheptyakov (PSI, Switzerland)

1000 – 1030 MS10-K1: Neutron powder diffraction, past, present and future directions Alan Hewat NeutronOptics and Institut Laue-Langevin, Grenoble, France

1030 – 1100 MS10-K2: A Perfect Experiment – Joining Chemistry and Magnetism. A.S. Wills UCL, Department of Chemistry, London, UK

1100 – 1120 MS10-O1: Neutron Diffraction Study on Interlayer Strain and Structural Distortions in Aurivillius Oxides Scott T. Misture Inamori School of Engineering, Alfred University, Alfred, NY,USA

1120 – 1140 MS10-O2: Pressure induced changes on structural and magnetic properties of YFe2D4.2 O. Isnard

Institut Néel CNRS/Univ. J. Fourier, Grenoble, France

1140 – 1200 MS10-O3: Magnetic ordering on the geometrically frustrated lattice of the 6-H perovskites Ba3ARu2O9 Mark S. Senn Centre for Science at Extreme Conditions and School of Chemistry, University of Edinburgh, Mayfield Road, Edinburgh, UK

1200 – 1330 Lunch (in Phelma Restaurant) + Coffee (in Exhibition Hall)


1200 – 1330 EPDIC Committee meeting (room B220/B221 in Minatec Building



1330 – 1530 Microsymposia – Parallel session 1 (Minatec Conference Hall) MS11 Structure and Properties of Functionnal Materials Chairs Olivier Isnard (Néel Institute, University Joseph Fourier, France), John Evans

(Durham University, United Kingdom)

1330 – 1355 MS11-K1: Modulations, total scattering and new polar materials John Bleddyn Claridge Department of Chemistry, University of Liverpool, UK

1355 – 1415 MS11-K2: In situ monitoring of mechanochemical syntheses of porous frameworks in a mill Tomislav Friščić McGill University, Canada

1415 – 1440 MS11-O1: Chemical and charge order in multiferroic tetragonal tungsten bronze fluorides C. Drathen European Synchrotron Radiation Facility, Grenoble, France

1440 – 1500 MS11-O2: NH2-MIL-53(Al): from powder X-ray diffraction to new optical properties E. Gobechiya Universiteit Leuven, Belgium

1500 – 1515 MS11-O3: Structural and Functional Richness of Bipyrazolato-based Coordination Polymers S. Galli University of Insubria, Italy

1515 – 1530 MS11-O4: Anomaly in structural noncentrosymmetry around TN in bulk and nanoscale BiFeO3 Dipten Bhattacharya CSIR-Central Glass and Ceramic Research Institute, India



1330 – 1530 Microsymposia – Parallel session 2 Phelma Conference Hall MS07 Texture and Residual Stress Analysis Chairs Daniel Chateigner (CRISMAT, France), Heinz G. Brokmeier (Clausthal

University of Technology, Germany)

1330 – 1400 MS07-K1: Texture analysis by patterns: from thin films to ab initio structure solutions. L. Lutterotti Università degli Studi di Trento, Italy

1400 – 1415 MS07-O1: Sub-micronic phase, strain and texture in depth gradient measurement in polycrystalline thin film: a nano-pencil beam diffraction approach N. Vaxelaire CEA,LETI, MINATEC campus, Grenoble, France

1415 – 1430 MS07-O2: Structure refinement of a strained LaVO3 thin film made by a combined analysis. H. Rotella CRISMAT, ENSICAEN et Université de Caen, Caen, France.

1430 – 1445 MS07-O3: Analytical model for neutron diffraction line shifts near sample surface J. Šaroun Nuclear Physics Institute ASCR, Řež, Czech Republic

1445 – 1500 MS07-O4: Deformation in brass particulates produced by Modulation Assisted Machining R.S. Joshi Indian Institute of Technology Ropar, India

1500 – 1515 MS07-O5: Preferred Orientations Analysis of Aluminium Alloy Linear Friction Welding (LFW) Specimen by One-shot Multi-element Energy Dispersive Synchrotron X-ray Diffraction M.Y. Xie University of Oxford, UK

1530 – 1730 Poster session 1 + coffee (in exhibition hall)

1330 – 1530 Software Fayre (room B222/B223)

1730 – 1830 Plenary Lecture Chair: Matteo Leoni

Advances in Rietveld refinement: a review Juan Rodríguez-Carvajal Institut Laue-Langevin, France

1900 – Gala Dinner – Chateau du Touvet See page 66 for details on travel and event

Scientific Programme – Wednesday, 31 October 2012



830 – 930 Plenary Lecture (Minatec Conference Hall) Chair: Andrew Fitch

Hydrogen storage and energy related materials Magnus H. Sørby Institute for Energy Technology, Physics Department, Norway


1000 – 1200 Microsymposia – Parallel session 1 (Minatec Conference Hall) MS08 In situ, in Operando Studies Chairs Manuel Hinterstein (DESY, Germany) Nathalie Audebrand (University of

Rennes, France)

1000 – 1030 MS08-K1: A2Ti6O13 (A=Na, Li, H) hexatitanates: crystal structures and electrochemical lithium insertion properties A. Kuhn Universidad San Pablo CEU, Spain

1030 – 1100 MS08-K2: Crystallisation and Reactivity of Functional Metal Organic Frameworks Viewed Using Time-Resolved in situ X-ray Diffraction R.I. Walton Department of Chemistry, University of Warwick, Coventry,UK

1100 – 1115 MS08-O1: Modulation Enhanced Diffraction: a new tool for solving crystal structures and study solid-state kinetics Wouter van Beek Swiss Norwegian BeamLines at ESRF Grenoble, France DISTA - Università del Piemonte Orientale "A. Avogadro" Alessandria Italy

1115 – 1130 MS08-O2: Real-time in situ monitoring of mechanochemical milling reaction using high-energy synchrotron radiation Ivan Halasz Ruđer Bošković Institute, Croatia

1130 – 1145 MS08-O3: Reaction pathways of metal hydride formation by in situ neutron diffraction H. Kohlmann Saarland University, Saarbruecken, Germany

1145 – 1200 MS08-O4: In Situ Energy-Dispersive X-ray Diffraction Studies of Molten Salt Electrolysis M.J. Styles CSIRO Process Science and Engineering, Australia University of Melbourne, Australia,



1000 – 1200 Microsymposia – Parallel session 2 (Phelma Conference Hall) MS6 Progress in Instrumentation Chairs Philip Pattison (ESRF, France), Emmanuelle Suard (ILL, France)

1000 – 1030 MS06-K1: Status of the High Resolution Powder Diffraction Beamline P02.1 at PETRA III A.-C. Dippel Deutsches Elektronen-Synchrotron DESY, Hamburg, Germany

1030 – 1100 MS06-K2: The Upgraded Polaris Powder Diffractometer at ISIS. R.I. Smith Rutherford Appleton Laboratory, Didcot, U.K.

1100 – 1120 MS06-O1: Monochromatic diffractometer for the ESS: Breaking the mould or flight of fancy? P.F. Henry European Spallation Source (ESS AB), Lund, Sweden

1120 – 1140 MS06-O2: Instrument Resolution Studies for High-energy Powder Diffraction Beamlines Xianbo Shi Photon Sciences Directorate, Brookhaven National Laboratory, Upton, USA European Synchrotron Radiation Facility, Grenoble, France

1140 – 1200 MS06-O3: The new Material Science Powder Diffraction beamline at ALBA Synchrotron F. Fauth

CELLS-ALBA, Cerdanyola del Vallès, Barcelona, Spain

1140 – 1200 MS06-O4: New Developments in Laboratory Micro-focus X-ray Sources B. Hasse Incoatec GmbH, Geesthacht, Germany

1200 – 1330 Lunch (in Phelma Restaurant) + Coffee (in exhibition Hall)


1200 – 1330 PANalytical workshop (room B220/B221 in Minatec Building



1330 – 1530 Microsymposia – Parallel session 1 (Minatec Conference Hall) MS09 Nanomaterials, Surfaces and Interfaces Chairs Radomír Kužel (Charles University, Czech Republic), Antonella Guagliardi

(CNR, Italy)

1330 – 1400 MS09-K1: Investigating Functional Nanomaterials Using In-situ Pair Distribution Function Methods K. W. Chapman Argonne National Laboratory, United States

1400 – 1430 MS09-K2: Combined Analysis of thin structures: how to characterise their structure, texture, stress state, nanocrystals, phase and more in a global approach D. Chateigner CRISMAT-ENSICAEN, IUT-Caen UCBN, France

1430 – 1445 MS09-O1: Planar faults in Ni(W) thin films investigated by reciprocal space mapping S.J.B. Kurz Max Planck Institute for Intelligent Systems (formerly Max Planck Institute for Metals Research), Stuttgart, Germany

1445 – 1500 MS09-O2: Total Scattering Analysis of Fe3O4/γ-Fe2O3 nanoparticles. R. Frison

Istituto di Cristallografia, CNR, Italy

1500 – 1515 MS09-O3: Direct and reciprocal space XRPD multiscale investigation of iron doped ceria nanoparticles N. Audebrand University of Rennes 1, France

1515 – 1530 MS09-O4: Diffraction-sensitive deformation of nanocrystals under large hydrostatic pressures M. Burgess Georgia Institute of Technology, Atlanta (USA) University of Trento, Trento, Italy



1330 – 1530 Microsymposia – Parallel session 2 (Phelma Conference Hall) MS05 Materials for Sustainable Development Chairs Christian Masquelier (University of Picardie Jules Verne, France), Yaroslav

Filinchuk (Catholic University of Louvain, Belgium)

1330 – 1355 MS05-K1: Following Function in Real Time: NMR, MRI and PDF Methods for Studying Structure and Dynamics in Batteries and Supercapacitors Clare P. Grey University of Cambridge, UK, and Stony Brook University, USA

1355 – 1415 MS05-K2: New materials for hydrogen storage Torben R. Jensen iNANO and Department of Chemistry, Aarhus University, Denmark

1415 – 1440 MS05-O1: Fluorosulfates as positive electrode material: a rich crystal chemistry J-N. Chotard LRCS, Université de Picardie Jules Verne, France

1440 – 1500 MS05-O2: Impact of the topology and the functionalization on the mechanical properties of Metal Organic Frameworks: A subtle combination of X-ray diffraction and molecular simulations. P.G. Yot University of Montpellier 2, France

1500 – 1515 MS05-O3: Phase diagrams in NaVO2-VO2 system: a combination of electrochemistry and X-ray diffraction M. Guignard ICMCB – CNRS, Pessac, France

1515 – 1530 MS05-O4: SOFC cathode material: oxygen diffusion mechanism from Rietveld/MEM analyses O. Hernandez ISCR, University of Rennes 1, Rennes, France

1530 – 1600 Coffee break (in Exhibition hall)

1600 – 1700 Plenary Lecture Chair: Marco Milanesio

Charge density analysis via powder Bo B. Iversen Aarhus University, Denmark

1700 – 1800 Closing Ceremony Young Scientist Award (sponsored by PANalytical)

At the limits of diffraction, from the very small to the very fast Kenneth R. Beyerlein Deutsches Elektronen Synchrotron (DESY), Hamburg


Poster presentations


Poster presentations Two poster sessions will take place during the meeting. They will be located in the Minatec Exhibition Hall. Poster Session PS1 : Monday 29 October, 15h30 - 17h30 Poster Session PS2 : Tuesday 30 October, 15h30 - 17h30 Each poster will be presented during one session only. The posters should be in A0 format, portrait orientation. Session PS1 gathers all posters from MicroSymposia MS2, MS4, MS7, MS10, MS11, MS12 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 MS1, MS3, MS5, MS6, MS8, MS9, 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 coffee break of Wednesday morning. Each poster should be fixed on the panel labeled with the corresponding poster number provided in the abstract and program booklets. Material to fix the posters will be provided.



POSTER SESSION PS1 (Exhibition Hall) Monday, 29 October 2012, 1530 - 1730 MS02: Ab initio Structure Solution MS02-P01 Structure Determination of LASSBio-294: A Bioactive Compound of the NAH class F. N. Costa Federal University of Rio de Janeiro, Brazil

MS02-P02 Structure determination and clarifying the phase transition of Ni2+ complexes Hisashi Konaka Application & Software Development Dept., Rigaku Corporation, Japan.

MS02-P03 Structure determination of Ni2+ complex before & after thermal phase transition Hisashi Konakaa Application & Software Development Dept., Rigaku Corporation, Japan.

MS02-P04 Trans-diaquobis-(L-leucinate-κ2 N,O) nickel (II) and cis-diaquobis-(L-isoleucinate-κ2 N,O) nickel(II): Crystal Structure from Synchrotron Powder Diffraction Data Asiloé J. Mora Universidad de Los Andes, Mérida-Venezuela

MS02-P05 Practical use of TALP with laboratory powder diffraction data O. Vallcorba Institut de Ciència de Materials de Barcelona (CSIC), Bellaterra, Catalunya, Spain.

MS02-P06 Fumarate-fumarate interaction: first example of AIM analysis based on PXRD data A. O. Dmitrienko A.N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences

MS02-P07 New crystal structure of a multipolymorphic double donor-acceptor compound Anna Portell Centres Científics i tecnològics, University of Barcelona, Spain

MS02-P08 Structure determination of a synthetic peptide from X-ray powder diffraction data Basab Chattopadhyay

Université Libre de Bruxelles, Bruxelles, Belgium.



MS02-P09 FOX, Free Objects for Xtallography: open-source ab initio structure solution V. Favre-Nicolin

CEA-UJF, INAC, SP2M, Grenoble, France Université de Grenoble-Alpes, Grenoble, France

MS02-P10 The dehydration of MTeO3(H2O) (M = Ca, Sr, Ba) – original way for preparation of new metastable oxotellurate(IV) phases MTeO3. Nicolas Barrier Laboratoire CRISMAT, CAEN, France

MS02-P11 Crystal Structures of Group 1 Citrate Salts J. A. Kaduk

Illinois Institute of Technology, Chicago USA

MS02-P12 Structure determination from low-resolution powder diffraction data: Crystal structure of the hydrous silicate RUB-52. H. Gies, RU Bochum, Germany

MS02-P13 Ab initio structure solution of a new zeolitic imidazolate framework. Stef Smeets Laboratory of Crystallography, Department of Materials, ETH Zurich,

MS02-P14 Combined decomposition / full profile fitting for ab-initio structure solution M. Bortolotti Fondazione Bruno Kessler, Italy

MS02-P15 Structure Determination of nano-crystal ZSM-5 by Rotation Electron Diffraction (RED) Jie Su Berzelii Centre EXSELENT on Porous Materials, and Department of Materials and Environmental Chemistry, Stockholm University, Stockholm, Sweden

MS02-P16 Single Crystal Rotation Electron Diffraction from Multi-phase Powder Samples Yifeng Yun Berzelii Center EXSELENT on Porous Materials and Inorganic and Structural Chemistry Department of Materials and Environmental Chemistry, Stockholm University, Sweden

MS02-P17 Ab-initio structure solution of two chain functionalized pyrroles I. da Silva

SpLine Spanish CRG Beamline at the ESRF, France Instituto de Ciencia de Materiales de Madrid-ICMM/CSIC, Spain



MS02-P18 Electron crystallography applied on a Bi/Ca/Fe/O powder C. Lepoittevin Institut Néel-CNRS et Université Joseph Fourier-Grenoble-France MS04: Combined Methods for Structure Investigation and 3-D Imaging MS04-P01 Combination of Rietveld refinement and MEM for location of intercalated atoms O.V. Magdysyuk Max Planck Institute for Solid State Research, Germany

MS04-P02 Combination of multidimensional X-ray methods for crystal structural studies. F. Masiello

PANalytical B.V., Lelyweg 1, 7602 EA Almelo, The Netherlands

MS04-P03 Element specific X-ray imaging Robert J. Cernik

Manchester Materials Science Centre, Grosvenor Street, Manchester, UK,

MS04-P04 Electron diffraction as complementary tool to overcome obstacles of structural studies by XRPD A.S. Galanis University of Patras, Greece NanoMEGAS SPRL, Brussels, Belgium

MS04-P05 X- ray diffraction study of transparent conductive oxides Beatrice-Gabriela Sbarcea National Institute for Electrical Engineering ICPE-CA, Bucharest, Romania

MS04-P06 Diffraction/Scattering Computed Tomography for 3D characterization of multi-phase crystalline and amorphous materials J.L. Hodeau Institut Neel, Grenoble, France

MS04-P07 Where do powder diffraction and microdiffraction meet ? C. Dejoie

ETH Zurich, Laboratorium f. Kristallographie, Zurich, Switzerland

MS04-P08 New insight into the complex elaboration process of ancient Egyptian make-up by combining Laue/powder X-ray microdiffraction P. Martinetto

Institut Néel CNRS-UJF, Grenoble, France



MS04-P09 Position and intensity modeling of the diffraction lines obtained after irradiation of a polychromatic, divergent x-ray laboratory source on a monocrystal C. Force

CEA, LIST, Dépt. Imagerie, Simulation pour le Contrôle, Gif-sur-Yvette, France.

MS04-P10 Hydration-dehydration cycle in palygorskite and Maya blue studied by combined vibrational spectroscopies and diffraction methods M. Sanchez del Rio

European Synchrotron Radiation Facility, France

MS04-P11 Identification of aluminum-phosfate-sulphate (APS) minerals by micro-difraction. M. Sanchez del Rio


MS04-P12 X-ray and neutron diffraction studies of borohydrides containing heavy elements C. Frommen

Institute for Energy Technology, Physics Department, Kjeller, Norway

MS07: Texture and Residual Stress Analysis MS07-P01 Quantitative analysis of electron diffraction ring patterns using MAUD. P. Boullay

CRISMAT, ENSICAEN and Université de Caen, Caen, France.

MS07-P02 Nullifying the Extinction Effects Based on Unifying Extinction Corrections I. Tomov Institute of Optical Materials and Technologies, Bulgarian Academy of Sciences, Sofia, Bulgaria

MS07-P03 Link between hydrous strain and the cation exchange capacity in the case of Metal-exchanged montmorillonite: Quantitative XRD investigation W. Oueslati

Physique des Matériaux Lamellaires et Nanomatériaux Hybrides (PMLNMH), Faculté des Sciences de Bizerte, Zarzouna, Tunisia

MS07-P04 Effect of Texture on Critical Currents in Bi-2212 Bulk Superconductors A. Dellicour University of Caen University of Liège, Belgium



MS07-P05 Texture in Lead-Free Bi0.5Na0.5TiO3 (BNT) System C.M. Fancher

Purdue University, USA

MS07-P06 Comparison of Pole Figures of different Orders measured by Diffraction Methods J. Palacios Gómez Instituto Politécnico Nacional, México D.F, Mexico

MS07-P07 Ni silicidation in Mesopourous Si thin film as probed by high energy pencil X-ray diffraction N. Vaxelaire

CEA,LETI, MINATEC campus, 17 rue des Martyrs, 38054 GRENOBLE Cedex9, France.

MS07-P08 Neutron diffraction study of the crystallographic preferential orientation of metagabro mylonite Kučeráková M. Czech Technical University in Prague, Czech Republic

MS07-P09 Texture and lattice strain development by in situ loading H.-G. Brokmeier

Clausthal University of Technology, Germany MS10: Neutron Structural and Magnetic Scattering MS10-P01 Neutron diffraction studies of Co substitution in cobaltites with perovskite-type structure V. Sikolenko

Karlsruhe Institute of Technology, Germany Joint Institute for Nuclear Research, Russia

MS10-P02 Neutron diffraction study of the R15Ge9C compounds (R = Ce, Pr, Nd) S. Tencé

Institut Néel CNRS-Univ. J Fourier, Grenoble, France

MS10-P03 Crystallographic studies on SrLnFeRuO6 (Ln=La,Pr,Nd) disordered perovskites E. Iturbe-Zabalo Institut Laue-Langevin, France Universidad del País Vasco/Euskal Herriko Unibertsitatea, Spain



MS10-P04 From ferro to antiferromagnetism and frustration in itinerant-electron system Hf1-xTaxFe2 L.V.B. Diop

Institut Néel, CNRS, Université Joseph Fourier Grenoble, Grenoble, France

MS10-P05 Anomalous Behavior of the Magnetic Structure in Tb3Fe5O12 below Room Temperature M. Lahoubi Université Badji Mokhtar-Annaba, Algérie

MS10-P06 Crystal structures and high-temperature phase transitions studies of the new ordered double perovskites Sr2MSbO6 and Ca2MSbO6 (M = Ln, Y and In) B. Orayech Universidad del País Vasco, Bilbao, Spain.

MS10-P07 Crystal structures, high and low temperature phase transitions studies of the Na0.5K0.5NbO3 simple perovskite by symmetry-mode analysis. B. Orayech Universidad del País Vasco, Bilbao, Spain.

MS10-P08 Magnetic structure of Ho2BaCuO5 N. Boudjada Institut Néel, MCMF-SPMCE, Grenoble, France.

MS10-P09 Magnetic phase transitions in RMn2-xTxGe2 studied by complementary methods T. Jaworska-Gołąb

Jagiellonian University, Poland

MS11: Structure and Properties of Functionnal Materials MS11-P01 The crystallography of lead chalcogenides Sofie Kastbjerg Center for Materials Crystallography, Department of Chemistry and iNANO center, Aarhus University, Denmark

MS11-P02 Characterization of ingredients in plastic-bonded explosives using XRD M. Herrmann Fraunhofer Institut für Chemische Technologie ICT, Pfinztal, Germany



MS11-P03 Crystalline phase analysis in cement material using bench-top X-ray diffractometer A. Ohbuchi Rigaku Corporation, Osaka 569-1146, Japan

MS11-P04 Thermal behaviour of crystal and domain structure of LSGMn T. Tataryn State Scientific-Research Control Institute of Veterinary Preparations and Fodder Additives, Ukraine

MS11-P05 Ferroic phase transition in LaEr(MoO4)3 A. Hernández-Suárez Universidad de La Laguna, Spain

MS11-P06 Water retention mechanism and structural characteristics of Hg exchanged montmorillonite. H. Ben Rhaiem LPMNH, Faculté des sciences de Bizerte, Tunisia

MS11-P07 Homologous critical behaviour in molecular frameworks I.E. Collings Department of Chemistry, University of Oxford, Oxford, UK

MS11-P08 The structure of BaZrxTi1-xO3 as a function of temperature and composition M. Dapiaggi

Università di Milano, Italy

MS11-P09 Crystallization study of sol-gel prepared Ti and Ce mixed oxides V. Valeš

Charles University in Prague, Czech Republic

MS11-P10 Reversible 3D-2D transformation of a mixed Co-Ni oxide network upon dehydration N. Guillou ILV, University of Versailles, France

MS11-P11 A SAXS/WAXS study of the bulk liquid nanostructure of aprotic ionic liquid-AlCl3 systems J.-P. Veder

CSIRO Process Science and Engineering, Australia



MS11-P12 MEM charge densities based on structure factor extraction with the commonly used Rietveld refinement programs Jana2006, GSAS and FullProf Niels Bindzus Center for Materials Crystallography, Department of Chemistry and iNANO, Aarhus University, Denmark

MS11-P13 X-ray powder diffraction and magnetic study of Zn1-xNdxCr2Se4 – compounds (x=0.05, 01) Izabela Jendrzejewska University of Silesia, Poland

MS11-P14 Synthesis and X-ray powder diffraction analysis of a new Gd-doped ZnCr2Se4. E. Maciążek University of Silesia,Poland

MS11-P15 Structural transformation is responsible for selective sorption of CO2 over N2 in a Zn-fumarate MOF. Paul Smart Department of Chemistry, University of Sheffield, UK

MS11-P16 Structure characterization of fatigued γ−TiAl based alloys by neutron diffraction P. Beran Nuclear Physics Institute, ASCR, Rez, Czech Republic

MS11-P17 Crystal structure of RbBaVO4 and high-pressure modification of KCaVO4 N.V. Tarakina

University of Würzburg, Germany Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, Russia

MS11-P18 Domain structure investigation of strontium ferrites/cobaltites U. Ancharova Institute of Solid State Chemistry and Mecharochemistry SB RAS, Russia

MS11-P19 Lattice distortions in donor doped Pb(Zr,Ti)O3 depending on the Zr/Ti ratio J. Koruza

Jožef Stefan Institute and International Postgraduate School, Slovenia

MS11-P20 Thermal Expansion in Metal-Organic Frameworks N. Lock

Aarhus University, Denmark

MS11-P21 Anisotropic compressibility of the SmFeAsO1-xFx (x=0.0-0.17) system. M. Calamiotou Solid State Physic Dept., University of Athens, Greece



MS11-P22 X ray diffraction characterization of new ternary yttrium and rare earth oxides formed by the sol–gel technique. G. Kimmel Ben Gurion University of the Negev, Beer Sheva, Israel

MS11-P23 Enhancement of Up-Conversion Luminescence of NaYF4:Yb3+,Tb3+ by Structural Modifications H.F. Brito

Universidade de São Paulo, Instituto de Química, São Paulo-SP, Brazil

MS11-P24 Evolution of mineralogical composition depending on grain size of Portland clinker – X-ray powder diffraction study A. Chouaih University of Mostaganem, Algeria

MS11-P25 Solvent-induced Reversible Polymorphism: from Heterocycles to Fullerenes. A.T. Gubaidullin Institute of Organic and Physical Chemistry of RAS, Kazan, Russian Federation

MS11-P26 Polymorphism in Ho2(MoO4)3 C. González-Silgo Universidad de La Laguna, Spain

MS11-P27 Influence of Ga for Co substitution on the structure and magnetism of TmCo5 A. Laslo

Babes-Bolyai University, Romania

MS11-P28 High temperature phase transition of a new Ca,Mn,Zr-phosphate. M. Orlova University of Innsbruck, Austria,

MS11-P29 Advanced use of PXRD in Cement Research: Two Case Studies on Portland and Sorel Phases T. Runčevski

Max-Planck-Institute for Solid State Research, Stuttgart, Germany

MS11-P30 Structure characterization and high-pressure study of selected rare-earth orthovanadates of scheelite type O. Ermakova Insitute of Physics PAS, Warsaw, Poland Institute of Solid State Chemistry RAS Urals Branch, Ekaterinburg, Russia



MS11-P31 Pressure induced destabilization of ground state of low doped manganite Barnali Ghosh (Saha)

S N Bose National Centre for Basic Sciences, India

MS11-P32 Simulation of X-ray diffraction patterns of interstratified structures N. Leontyeva

Institute of hydrocarbons processings SB RAS, Russia

MS11-P33 Structural Characterization of Gallosilicate Analogues of Natrolite Zeolite. D.S. Bhange

Shivaji University Kolhapur, Maharashtra, India

MS11-P34 A structure property correlation for high temperature antiferroelctric ordering in Na0.5Bi0.5TiO3 relaxor ferroelectric T. Karthik Indian Institute of Technology Hyderabad, Andhra Pradesh, India.

MS11-P35 Push back material: giant negative linear compressibility in quartz-like framework zinc dicyanoargentate. A. B. Cairns

Inorganic Chemistry Laboratory, University of Oxford, U.K

MS11-P36 Orbital order/disorder in CaCu3Ti4O12 : a extrinsic feature for huge dielectric constant Dileep K Mishra UGC-DAE Consortium for Scientific Research, Indore

MS11-P37 Fractal Structure of CaCu3Ti4O12 Jitender Kumar UGC-DAE Consortium for Scientific Research, Indore

MS11-P38 Structural study and Charge density of Neodymium-substituted britholites Amel Hassine

U.R. Matériaux Inorganiques, Institut Préparatoire aux Etudes d’Ingénieur de Monastir, Tunisia

MS12: Advances in Diffraction Line Profile Analysis MS12-P01 Nitriding of fcc-Ni-base and bcc-Fe-base alloy powders: formation of apparent extended solid solution A. Leineweber

Max Planck Institute for Intelligent Systems (formerly Max Planck Institute for Metals Research), Stuttgart, Germany

MS12-P02



Reducing Effect of Grain Size on Stability of Energy Dispersive X-ray Diffraction Patterns used for Threat Detection C. Paulus CEA-Leti, MINATEC Campus- Grenoble, France

MS12-P03 Crystallite size distributions in kaolinites of Maestrazgo bauxites (NE Spain). J. Martinez-Cuevas Universidad Autónoma de Barcelona, Spain

MS12-P04 Size-strain analysis for the Bragg-Brentano and parallel beam geometories using the Fundamental Parameter method A. Himeda X-ray Analysis Division, Rigaku Corporation, Japan

MS12-P05 Instrumental Line Profile in Synchrotron Radiation Powder Diffraction with different geometry L. Rebuffi

Università di Trento, Italy Sincrotrone Trieste S.C.p.A., Italy

MS12-P06 XRD line broadening effects in nanocrystals under hydrostatic pressure, A. Leonardi University of Trento, Trento, Italy

MS12-P07 X-ray diffraction line profile analysis of unidirectional and cross rolled metals A. Sarkar Bhabha Atomic Research Centre, Mumbai, India

MS12-P08 The Effect of Vacancies on Diffraction Profiles In LaNi5 T.A. Webb Queensland Micro- and Nano Technology Centre, Griffith University, Nathan, Australia



POSTER SESSION PS2 (Exhibition Hall) Tuesday, 30 October 2012, 1530 - 1730

MS01: Total Scattering Studies and Disorder MS01-P01 Pair Distribution Function of Ammonium Nitrate – A Comparison of Measuring Systems P.B. Kempa Fraunhofer ICT, Pfinztal, Germany

MS01-P02 PDF study of hydrogen trapping mechanism using a MnO2/Ag2O mixture as a getter. K. Galliez

Institut des Matériaux Jean Rouxel, Université de Nantes, France

MS01-P03 Crystal structure of new HfO(OH)2 oxyhydroxide N.V. Tarakina University of Würzburg, Germany Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, Russia

MS01-P04 A combined Total Scattering study of TiO2 – SiO2 nanocomposite photocatalysts A. Cervellino SLS, Paul Scherrer Institut, Switzerland

MS01-P05 On the use of laboratory XRD equipment for Pair Distribution Functions studies C.A. Reiss PANalytical B.V., Lelyweg 1, 7602 EA Almelo, The Netherlands.

MS01-P06 Local structure of size-stabilized undoped zirconia: powders and densified materials M. Dapiaggi Università di Milano, Italy

MS01-P07 Synchrotron and neutron diffraction study of “δ-alumina” H.E. du Plessis Sasol Technology (Pty) Ltd., South Africa

MS01-P08 A structural analysis of defect CoxAlyO4 (0 ≤ x+y ≤ 3) as a function of temperature R.P. Forbes, Sasol Technology (Pty) Ltd., R & D Division, Sasolburg, 1947, South Africa

MS01-P09 Defect clustering investigation in Ce1-xGdxO2-x/2 using PDF analysis M. Brunelli Institut Laue-Langevin, Grenoble, France



MS01-P10 The ePDF; Quantitative atomic pair distribution functions (PDFs) of nanomaterials from TEMs. A. M. M. Abeykoon Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory

MS01-P11 Powder diffraction features in Layered Double Hydroxides R. Koch University of Trento, Trento, Italy

MS01-P12 Investigation of eighteenth-century Prussian blue pigments by PDF analysis L. Samain University of Liège, Belgium Stockholm University, Sweden

MS03: Powder Diffraction for Biological and Molecular Materials MS03-P01 Phase mapping of insulin using Synchrotron X-ray powder diffraction methods F. Karavassili University of Patras, Greece.

MS03-P02 Crystallization and Structural Studies of the nsP3 Macro Domain of the Mayaro Virus. E. Kotsiliti University of Patras, Greece

MS03-P03 Investigation of insulin polymorphism via Synchrotron X-ray Powder Diffraction A. E. Giannopoulou University of Patras, Greece

MS03-P04 A New Mg Intercalated C60 Polymer Featuring Ionic Conductivity Character D. Pontiroli Università di Parma, Italy

MS03-P05 Low Temperature Crystal Structures and Phase Behaviour of Liquid Dinitrile Solvents P.S. Whitfield Energy, Mining and Environment Portfolio, National Research Council Canada, Ottawa, Canada



MS03-P06 XRPD and thermal decomposition of whewellite kidney stones L. Kuplich

Universidade do Estado do Rio de Janeiro, Brasil

MS03-P07 Powder diffraction studies of porous organic cages. S. Y. Chong, Department of Chemistry and Centre for Materials Discovery, University of Liverpool,, UK

MS03-P08 Limits for quantification Active Pharmaceutical Ingredients by X-ray Diffraction V. D. N. Bezzon

Institute of Chemistry - University of the State of Sao Paulo - Unesp, Brazil

MS03-P09 Quantifying isotibolone in raw materials S. G. Antonio UNESP - Univ Estadual Paulista, Brazil

MS03-P10 Powder and single crystal study of Thiocolchicoside, an anti-inflammatory and analgesic muscle relaxant J. M. Delgado Laboratorio de Cristalografía, Departamento de Química, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101, Venezuela

MS03-P11 Following stepwise formation of pillared PCP with powder diffraction E. E. Ávila

Instituto Venezolano de Investigaciones Científicas, Venezuela

MS03-P12 Effect of Langmuir Blodgett Nanotemplate Crystallisation On Radiation Damage in Lysozyme Studied By Powder Diffraction Eugenia Pechkova Biophysics and Nanobiotechnology Laboratories University of Genoa, Genoa and Nanoworld Institute Fondazione El.B.A. Nicolini , Pradalunga, Bergamo, Italy,

MS03-P13 Synchrotron Diffraction of Multilayered LS PGA Films After Heating And Cooling Claudio Nicolini Biophysics and Nanobiotechnology Laboratories University of Genoa, Genoa and Nanoworld Institute Fondazione El.B.A. Nicolini , Pradalunga, Bergamo, Italy, European Synchrotron Radiation Facility, Grenoble , France Curie University of Paris (France)

MS03-P14 New tetramethylgermane phases from powder data Y. Krysiak University of Frankfurt, Germany



MS03-P15 Atenolol characterization in solid formulations available in Brazilian market S. T. B. Salvi Universidade Estadual Paulista, Brazil

MS03-P16 Application the Rietveld method to polymorph identification of spironolactone in tablets. D. L. Tita

Univ Estadual Paulista – Institute of Chemistry, Brazil

MS05: Materials for Sustainable Development MS05-P01 Reactivity of LaNi0.6Co0.4O3-δ, LaNi0.6Fe0.4O3-δ and (La0.8Sr0.2)0.95Fe0.6Mn0.3Co0.1O3 with La0.6Sr0.4FeO3 materials for SOFC applications A. Morán-Ruiz

Facultad de Ciencia y Tecnología, Universidad del País Vasco/Euskal Herriko Unibertsitatea (UPV/EHU), Spain

MS05-P02 Investigations of the Cu2ZnSnS4 derivatives for photovoltaic applications. A. Lafond Institut des Matériaux Jean Rouxel, Université de Nantes, France

MS05-P03 Evidence of formation of AlPO4 tridymite in some municipal sewage sludge ashes B. Peplinski

BAM Federal Institute for Materials Research and Testing, Berlin, Germany

MS05-P04 Calcium sulfoaluminate cement hydration in the presence of fly ash I. Santacruz Universidad de Málaga, Spain.

MS05-P05 Title of the Abstract: Structure function relationship of Energy Storage Materials Ashfia Huq Chemical and Engineering Materials Division, Neutron Sciences Directorate, Oak Ridge National Laboratory, Oak Ridge, TN, United States

MS05-P06 Refinement of «A» type phosphostrontium carbonate hydroxyapatites. Habib Boughzala El Manar University, Tunisia.



MS05-P07 Size dependent retention of high ion conductivity pseudocubic phases in nanocrystalline powders and in fine grained ZrO2-10 mol% Sc2O3 ceramics Paula M. Abdala SNBL at ESRF, Grenoble, France Consejo Nacional de Investigaciones Científicas y Técnicas, Buenos Aires, Argentina

MS05-P08 Structure, stability and phase transitions in Cu-Sn-In alloys (Pb-free solders) G. J . Cuello

Institut Laue Langevin, F-38042 Grenoble, France

MS05-P09 Structural and spectroscopic study of NaXSb(PO4)3 (X = Cr, Fe, In) phases R. Tigha

University HassanII-Mohammedia, Faculty of Sciences Ben M’Sik, LCMS, Casablanca, Morocco

MS05-P10 Multiphase analysis of Apatite-Asbestos samples N. Boudjada Institut Néel, MCMF-SPMCE, France

MS05-P11 Effect of tin content on structural properties of CZTS thin films by means of Synchrotron X-ray diffraction C. L. Azanza Ricardo Dept. of Civil, Environmental and Mechanical Engineering, University of Trento, Italy

MS05-P12 UMo/Al nuclear fuel plate behavior under thermal treatment (425-475°C) A. Bonnin CEA, DEN, DEC, Cadarache, Saint Paul lez Durance, France ESRF, Grenoble, France

MS05-P13 Structure and dynamics of Sr2ScGaO5 in view of possible application as oxygen ion electrolyte at moderate temperature S. Corallini Institut Charles Gerhardt, Université de Montpellier, France Université de Rennes 1, Rennes, France

MS06: Progress in Instrumentation MS06-P01 X-Ray Diffraction without Sample Preparation G. M. Hansford Space Research Centre, University of Leicester, UK



MS06-P02 Double Bent Crystal Monochromator for High Resolution Neutron Powder Diffraction P. Mikula

Nuclear Physics Institute ASCR,v.v.i. 25068 Rez, Czech Republic

MS06-P03 Spatial distribution of the absorption factor for an infinite cylindrical sample S. Sulyanov

Institute of Crystallography, Moscow, Russia

MS06-P04 PyFAI: a python library for high performance azimuthal integration on GPU J. Kieffer


MS06-P05 Coupling µXRD2 & DTA: Real-time Monitoring of the De- and Rehydration Behavior of Bassanite N. Huber

University of Tübingen,Germany

MS06-P06 Synchrotron X-ray powder diffraction study on synthetic Sr-Fresnoite. A.M.T. Bell HASYLAB/DESY, Hamburg, Germany

MS06-P07 All-in-vacuum Powder Diffractometer. Tine Straasø Niels Bohr Institute, University of Copenhagen, Denmark

MS06-P08 X-Ray Powder Diffraction and Cement Hydration: Transmission versus reflection geometry A. Cuesta Universidad de Málaga, Spain.

MS06-P09 Advances in Guinier-type Powder Diffraction Horst Borrmann Max Planck Institute for Chemical Physics of Solids, Dresden, Germany

MS06-P10 Accuracy in amorphous quantification by X-ray powder diffraction A. Bernasconi

Earth Science Department, University of Milan, Italy

MS06-P11 Overview of powder diffraction concepts for a Day-1 ESS instrument P. F. Henry

ESS AB, Lund, Sweden



MS06-P12 Structure determination on high temperature phase from X-ray powder diffraction combined with DSC T. Konya

Rigaku Corporation, Japan

MS06-P13 The powder diffraction beamline I711 at MAX II D. Thomas

MAX IV Laboratory, Lund University, Sweden

MS06-P14 Refurbishment and new possibilities of the high flux CRG-D1B 2-axis diffractometer. V. Nassif Institut Néel, CNRS-UJF, Grenoble, France

MS06-P15 Full pattern search-match and quantitative phase analysis. L. Lutterotti

Università degli Studi di Trento, Italy

MS06-P16 The X-ray Powder Diffraction Facility at NSLS-II E. Dooryhee

Photon Sciences Directorate, Brookhaven National Laboratory, Upton, USA

MS06-P17 NIST Standard Reference Materials for X-ray Metrology J.P. Cline NIST, Gaithersburg, MD, USA

MS08: In situ, in Operando Studies MS08-P01 Non-destructive analysis of two Mughal silver coins using Rietveld refinement Prabal Dasgupta Dept. of Central Scientific Services, Indian Association for the Cultivation of Science, Kolakata, India

MS08-P02 In situ studies of Jarosite formation in the presence of seed materials. H. E. A. Brand Australian Synchrotron, Clayton South, Australia CSIRO Process Science and Engineering, Clayton South, Australia. The Bragg Institute, ANSTO, Australia.

MS08-P03 The Phase Behaviour of Aniline at High Pressure and Low Temperature N. P. Funnell Inorganic Chemistry Laboratory, University of Oxford, UK



MS08-P04 A RF-Magnetron Sputter Chamber for In Situ Investigation of Thin Film Growth P.Walter

Deutsches Elektronen-Synchrotron DESY, Germany

MS08-P05 Use of powder X-ray diffraction to study the solid-state reactivity of cocrystals M. Arhangelskis

Department of Chemistry, University of Cambridge, UK

MS08-P06 Understanding the Supercritical Synthesis of Inorganic Nanoparticles C. Tyrsted

Center for Materials Crystallography, Aarhus University, Aarhus, Denmark

MS08-P07 Reaction kinetics of quartz-cristobalite transition: the influence of grain size L. Pagliari

Università degli Studi di Milano, Italy

MS08-P08 Kinetic analysis of Cu2ZnSnS4 thin film growth M. Müller

University of Trento, Italy

MS08-P09 Gas-solid reactions in non-porous crystalline materials studied by in-situ XRPD Iñigo J. Vitorica-Yrezabal Department of Chemistry, University of Sheffield, United Kingdom

MS08-P10 In situ X-ray diffraction studies of Fe/F co-doped LiNi0.5Mn1.5O4 5 V spinel cathodes H. Geßwein

Karlsruhe Institute of Technology, Germany

MS08-P11 Effects of di- and trivalent metals on the rehydration mechanism of LDHs D. Haase MAX-IV laboratory, Lund University, Sweden

MS08-P12 Simultaneous measurement of X-ray diffraction and ferroelectric polarisation data as a function of applied electric field Stephanie Ryding Manchester Materials Science Centre, Manchester, UK

MS08-P13 High temperature neutron powder diffraction of the Li ion conductor Li2Te J. Schneider

LMU-München, Department for Earth- and Environmental Sciences, Germany



MS08-P14 Proportional Control of Thermally Induced Shape Recovery. Frustration of XRD in-situ study. L. Anguilano The Experimental Techniques Centre, Brunel University

MS08-P15 Poling behaviour of technical ferroelectrics studied by in-situ neutron diffraction M. Hoelzel Technische Universität München, Germany

MS08-P16 In-situ x-ray characterization of spinel-supported nanoparticulate metal catalysts Scott T. Misture Inamori School of Engineering, Alfred University, Alfred, NY, USA

MS08-P17 Pulsed-Reactant Operando Studies using XRD and DRIFTS of Cu/Ceria Catalysts J. Hanson Brookhaven National Laboratory, USA

MS08-P18 Elucidating the influence of various salts on the growth of ZnO nanoparticles E. D. Bøjesen

Center for Materials Crystallography, Aarhus University, Aarhus, Denmark

MS08-P19 Instrument for ESS using neutrons for probing multiple length and time scales M. Christensen

University of Aarhus, Denmark

MS08-P20 In Situ Characterization of Battery Materials Using X-Ray Diffraction M. Gateshki PANalytical B.V.,The Netherlands

MS08-P21 Thermoresponsive behaviour of CaBPO5 evaluated from Parametric Rietveld refinement. Wilson M. Mogodi School of Chemistry and DST/NRF Centre of Excellence in Strong Materials, University of the Witwatersrand, Private Bag 3, Wits, 2050, South Africa.

MS08-P22 Phase behavior and thermal transformations within the CuI/IIX2(PO4)3 [X=Ti, Zr, Hf & Sn] series. D.G Billing

School of Chemistry and DST/NRF Centre of Excellence in Strong Materials, University of the Witwatersrand, South Africa.

MS08-P23 Lattice Deformation Measurements via “On-Site X-ray Diffraction” G. Berti University of Pisa, R&D XRD Lab., Earth Science Dep., Italy



MS08-P24 In-situ XRD on Nucleation of ZnO Nanoparticles in Ethanol M. Zobel University Erlangen-Nürnberg, Germany

MS08-P25 Operando Study of Ceria Based Solid Oxide Electrochemical Cells (SOEC) C. Dejoie

LBNL-ALS, Berkeley, USA ETH Zurich, Lab. of Crystallography, Switzerland

MS08-P26 New Prospects of Material Science in-situ investigations at ROBL-MRH C. Baehtz

Helmholtz-Zentrum Dresden-Rossendorf, Germany

MS08-P27 Intercalatıon Into Layered Double Hydroxıdes Characterized by Fast in-situ XRPD Eleonora Conterosito Dipartimento di Scienze e Innovazione Tecnologica, Università del Piemonte Orientale “A. Avogadro”, Italy).

MS09: Nanomaterials, Surfaces and Interfaces MS09-P01 The compressibility of carbon supported Pt nanoparticles I. Leontyev Southern Federal University, Russia

MS09-P02 X-ray diffraction and magnetic study of hematite/ chromium powders A. Kihal Laboratoire de Magnétisme et Spectroscopie des Solides (LM2S), Université Badji Mokhtar, Annaba, Algérie

MS09-P03 Examination of density modulation waves in nanocrystals by real space analysis, B. Palosz

Institute of High Pressure Physics, Poland

MS09-P04 A novel interpretation of the mean structure of feroxyhite M. Sestu Department of Chemical and Geological Sciences, University of Cagliari, Italy

MS09-P05 XRD Analysis of Nanocrystalline TiO2 Powders Prepared by Various Chemical Routes Z. Matěj Faculty of Mathematics and Physics, Charles University in Prague, Czech Republic



MS09-P06 T-dependent morphology changes in thin films of semifluorinated PMMA copolymers D. Jehnichen

Leibniz-Institut für Polymerforschung Dresden e.V., Germany

MS09-P07 Size-structure dependence in zinc-aluminum spinel nanocrystals. S. Gierlotka

Institute of High Pressure Physics, Poland

MS09-P08 XRD analysis of thermal transformations of alum to form nanocrystalline corundum. J. Bastida Universidad de Valencia, Spain

MS09-P09 Covalent modification of calcium hydroxy and fluoroapatite surface by grafting alkylphosphonate Mongi. Debbabi Laboratoire de Physico-chimie des Matériaux, Faculté des Sciences de Monastir, Tunisie

MS09-P10 Grain-size effects found by X-ray powder diffractometry of yttrium and rare earth oxides formed by the sol – gel technique. G. Kimmel

Ben Gurion University of the Negev, Beer Sheva, Israel

MS09-P11 The application of the X-ray micro diffraction to study some industrial problems Z. Kania Institute for Ferrous Metallurgy, Poland

MS09-P12 Characterisation of Na-P zeolite synthesis from geopolymer precursor W. Oueslati

PMLNMH: Laboratoire de physique des matériaux lamellaires et nanomatériaux hybrides, Faculté des Sciences de Bizerte, Zarzouna, Tunisia.

MS09-P13 Internal structure of diamond nanocrystals by modeling and PDF analysis, S. Stelmakh Institute of High Pressure Physics, Poland


Index of Chairs and Presenting Authors


Index of Chairs and Presenting Authors

A

Abdala, P. M. ........... 47 Abeykoon, A. M. M. 44 Altomare, A. ............. 22 Ancharova, U. .......... 39 Anguilano L. ............ 51 Antonio, S. G. ........... 45 Arhangelskis, M. ...... 50 Audebrand, N. 8, 26, 28 Ávila, E. E. ............... 45 Azanza Ricardo, C. L.

.............................. 47

B

Baehtz, C. ................. 52 Baerlocher, C. ........... 17 Baimpas, N. .............. 18 Barrier, N.................. 33 Bastida, J. ................. 53 Bell, A. M. T. ........... 48 Ben Rhaiem, H. ........ 38 Beran, P. ................... 39 Bernasconi, A. .... 19, 48 Berti, G. .................... 51 Beyerlein, K. R. ........ 29 Bezzon, V. D. N. ...... 45 Bhange, D. S. ........... 41 Bhattacharya, D. ....... 24 Billing, D. G. ............ 51 Billinge, S. J. L. ........ 18 Bindzus, N. ............... 39 Bøjesen, E. D. ........... 51 Bonnin, A. .......... 18, 47 Bordet, P. ....................8 Borrmann, H. ............ 48 Bortolotti, M. ............ 33 Boudjada, N. ....... 37, 47 Boughzala, H. ........... 46

Boullay, P. ................ 35 Brand, H. E. A. ......... 49 Brito, H. F. ............... 40 Brokmeier, H.-G. 25, 36 Brunelli, M. .... 8, 19, 43 Burgess, M. .............. 28 Bushmarinov, I. S. .... 22

C

Cairns, A. B. ............. 41 Calamiotou, M. ......... 39 Cernik, R. J. .......... 8, 34 Černý, R. ........ 8, 18, 22 Cernyk, R. ................ 22 Cervellino, A. ........... 43 Chapman, H. ............. 22 Chapman, K. W. ....... 28 Chapon, L. ................ 23 Chateigner, D. .... 25, 28 Chattopadhyay, B. .... 32 Chong, S. Y. ............. 45 Chotard, J.-N. ........... 29 Chouaih, A. .............. 40 Christensen, M. ........ 51 Claridge, J. B. ........... 24 Cline, J. P. .......... 21, 49 Collings, I. E. ........... 38 Conterosito, E. .......... 52 Corallini, S. .............. 47 Costa, F. N. ............... 32 Cuello, G. J. .............. 47 Cuesta, A. ................. 48

D

da Silva, I. ................ 33 Dapiaggi, M. ....... 38, 43 Dasgupta, P. ............. 49 David, W. I. F. ............8 Debbabi, M. .............. 53

Dejoie, C. ........... 34, 52 Delgado, J. M. .......... 45 Dellicour, A. ............. 35 Diop, L. V. B. ........... 37 Dippel, A.-C. ............ 27 Dmitrienko, A. O. ..... 32 Dooryhee, E. ............. 49 Drathen, C. ............... 24 du Plessis, H. E. ........ 43

E

Ermakova, O. ........... 40 Evans, J. ................... 24

F

Fancher, C. M. .......... 36 Fauth, F. ................... 27 Favre-Nicolin, V. 21, 33 Fernandez-Martinez, L.

.............................. 19 Filinchuk, Y. ............. 29 Fitch, A. N. ........... 8, 26 Forbes, R. P. ............. 43 Force, C. ................... 35 Friščić, T. ................. 24 Frison, R. .................. 28 Frommen, C. ............. 35 Fuess, H. .....................8 Funnell, N. P. ........... 49

G

Galanis, A. S. ........... 34 Galli, S. .................... 24 Galliez, K. ................ 43 Gateshki, M. ............. 51 Gelisio, L. ................. 21 Geßwein, H. ............. 50 Ghosh (Saha), B. ...... 41 Giannopoulou, A. E. . 44


Gierlotka, S. ............. 53 Gies, H. .................... 33 Gobechiya, E. .......... 24 González-Silgo, C. ... 40 Grey, C. P. ............... 29 Guagliardi, A. 8, 20, 28 Gubaidullin, A. T. .... 40 Guignard, M. ........... 29 Guillou, N. ................ 38 Guinebretière, R. ..... 17 Gustafsson, T. ............ 8

H

Haase, D. ................. 50 Halasz, I. .................. 26 Hansen, T............. 8, 21 Hansford, G. M. ....... 47 Hanson, J. ................ 51 Hasse, B. .................. 27 Hassine, A. .............. 41 Henry, P. F......... 27, 48 Hernandez, O. .......... 29 Hernández-Suárez, A.

............................. 38 Herrmann, M. .......... 37 Hewat, A. ................. 23 Himeda, A. .............. 42 Hinterstein, M. ......... 26 Hodeau, J.-L. ........... 34 Hoelzel, M. .............. 51 Huber, N. ................. 48 Huq, A. .................... 46

I

Inge, A. K. ............... 18 Isnard, O. ........... 23, 24 Iturbe-Zabalo, E. ...... 36 Ivanov, S. A. .............. 8 Iversen, B. B. ........... 29

J

Jaworska-Gołąb, T. .. 37

Jehnichen, D. ........... 53 Jendrzejewska, I. ..... 39 Jensen, K. M. Ø ....... 19 Jensen, T. R. ............ 29 Jørgensen, J. E. .......... 8 Joshi, R. S. ............... 25

K

Kaduk, J. A. ............. 33 Kania, Z. .................. 53 Karavassili, F. .......... 44 Kardash, T. Y. ......... 19 Karthik, T. ............... 41 Kastbjerg, S. ............ 37 Keen, D. A. .............. 18 Kempa, P. B. ............ 43 Kern, A. ..................... 8 Kieffer, J. ................. 48 Kihal, A. .................. 52 Kimmel, G. ........ 40, 53 Koch, R. ................... 44 Kohlmann, H. .......... 26 Konaka, H. ............... 32 Konya, T. ................. 49 Koruza, J. ................. 39 Kotsiliti, E. .............. 44 Krysiak, Y. .............. 45 Kučeráková, M. ....... 36 Kuhn, A. .................. 26 Kumar, J. ................. 41 Kuplich, L. ............... 45 Kurz, S. J. B. ............ 28 Kužel, R. ........ 8, 21, 28

L

Lafond, A................. 46 Lahoubi, M. ............. 37 Laslo, A. .................. 40 Leineweber, A. ........ 41 Lengauer, C. .............. 8 Leonardi, A. ............. 42 Leoni, M. ................. 25 Leontyev, I. .............. 52

Leontyeva, N. .......... 41 Lepoittevin C. .......... 34 Lock, N. ................... 39 Lutterotti, L. ...... 25, 49

M

Maciążek, E. ............ 39 Magdysyuk, O. V. ... 34 Margiolaki, I. ....... 8, 20 Martinetto, P. ........... 34 Martinez-Cuevas, J. . 42 Masiello, F. .............. 34 Masquelier, C. ......... 29 Matěj, Z. .................. 52 Meden, A. ............ 8, 22 Mikula, P. ................ 48 Milanesi, M. ............ 29 Milanesio, M. .......... 18 Mishra, D. K. ........... 41 Misture, S. T. ..... 23, 51 Mogodi, W. M. ........ 51 Moliterni, A. G. ....... 22 Mora, A. J. ............... 32 Morán-Ruiz, A. ........ 46 Müller, M................. 50

N

Nassif, V. ................. 49 Nicolini, C. .............. 45

O

Ohbuchi, A. ............. 38 Orayech, B. .............. 37 Orlova, M. ............... 40 Oueslati, W. ....... 35, 53

P

Pagliari, L. ............... 50 Palacios Gómez, J. ... 36 Palosz, B. ............. 8, 52 Pattison, P. ............... 27 Paulus, C. ................. 42


Pechkova, E. ............. 45 Peplinski, B. ............. 46 Pontiroli, D. .............. 44 Portell, A. ................. 32 Poulsen, H. F. ........... 18

R

Rafaja, D. ...................8 Rebuffi, L. ................ 42 Reiss, C. A. ............... 43 Rius, J. .................. 8, 22 Rodríguez-Carvajal, J.

.............................. 25 Rotella, H. ................ 25 Runčevski, T. ........... 40 Ryding, S. ................. 50

S

Salvi, S. T. B. ........... 46 Samain, L. ................ 44 Sanchez del Rio, M. . 35 Santacruz, I. .............. 46 Sarkar, A. ................. 42 Šaroun, J. .................. 25 Sbarcea, B.-G. .......... 34 Scardi, P. .............. 8, 21 Schmidt, M. U. ... 19, 20 Schneider, J. ............. 50 Schouwink, P. ........... 18 Schreyer, M. ............. 22 Senn, M. S. ............... 23 Sestu, M.................... 52

Sheptyakov, D. ......... 23 Shi, X. ...................... 27 Sikolenko, V. ............ 36 Šišak, D. ................... 22 Smart, P. ................... 39 Smeets, S. ................. 33 Smith, R. I. ............... 27 Sørby, M. H. ............. 26 Ståhl, K. .................... 20 Stelmakh, S. ............. 53 Stephens, P. W. .. 20, 21 Straasø, T.................. 48 Styles, M. J. .............. 26 Su, J. ......................... 33 Suard, E. ................... 27 Sulyanov, S. ............. 48

T

Tarakina, N. V. ... 39, 43 Tataryn, T. ................ 38 Tedesco, C. ............... 20 Tencé, S. ................... 36 Thomas, D. ............... 49 Thomas, N. ............... 21 Tigha, R. ................... 47 Tita, D. L. ................. 46 Tomov, I. .................. 35 Tyrsted, C. ................ 50

V

Valeš, V. ................... 38 Vallcorba, O. ............ 32

van Beek, W. ............ 26 Vaughan, G. B. M.8, 18 Vaxelaire, N. ...... 25, 36 Veder, J.-P. ............... 38 Vermeulen, A. ............8 Vitorica-Yrezabal, I. J.

.............................. 50 Von Dreele, R. B. ..... 20

W

Walter, P. .................. 50 Walton, R. I. ............. 26 Wang, X. .................. 21 Webb, T. A. .............. 42 Welzel, U....................8 Whitfield, P. S. ......... 44 Wills, A. S. ............... 23 Wright, J. P. .............. 20

X

Xie, M. Y.................. 25

Y

Yot, P. G. .................. 29 Yun, Y. ..................... 33

Z

Zobel, M. .................. 52

Notes


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Sponsors and Commercial Exhibition


Sponsors and Commercial Exhibition As a well established tradition in EPDIC meetings, a commercial exhibition will take place allowing companies to present their most recent products related to crystallography. We encourage all attendees to visit the booths of our exhibitors and sponsors during lunch time, poster sessions, coffee breaks, etc.... The exhibition will be located in the Minatec Center Main Hall, together with the scientific poster sessions and coffee breaks. EPDIC13 Commercial Sponsors and exhibitors :

Publication of EPDIC13 proceedings is sponsored by ICDD Platinum Sponsors :

Panalytical

Bruker Copper Sponsors :

Crystal Impact Dectris

Exhibitors :

Rigaku Inel Huber Stoe Xenocs NanoMegas

http://www.icdd.com/�

http://www.bruker-axs.com/�

http://www.crystalimpact.com/�

https://www.dectris.com/�


Social Program


Social Program Sunday 28 October Welcome Party, Minatec Hall After the opening ceremony, you are all invited to participate to the welcome party, which will take place at the Minatec Center Exhibition Hall from 19h30 to 21h30.

Monday 29 October Cultural evening at Museum of Modern Art All participants are invited to discover the exhibitions of the "Musée de Grenoble", one of the finest museums of modern art in France. After a cocktail, it will be possible to have a guided tour of the exhibitions. The event will start at 19h00 and finish at 20h30.

All participants should go to the museum by their own means. The simplest way is by taking Tramway B at "Cité Internationale", in front of Minatec Center, and stop at "Notre Dame - Musée", then have a <5min walk to the museum (see Maps p.66 and 67). For those coming by car, parking is available in the museum basement.

Tuesday 30 October Gala Dinner at Château du Touvet

The gala dinner of the conference will take place at Château du Touvet, a small castle with beautiful gardens located at 30 km from Grenoble.

Bus transportation will be provided, starting at 19:00 from Minatec Center

The gala dinner fee is 50 € and tickets were accessible through registration. There is a limited amount of tickets remaining for those not having chosen that option while registering. Please contact registration desk.

http://www.museedegrenoble.fr/962-english.htm�

http://www.touvet.com/en/index.htm�

Maps

Maps





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13th European Powder Diffraction Conference Grenoble…epdic13.grenoble.cnrs.fr/IMG/file/documents/Program_Booklet_A5.pdf · 13th European Powder Diffraction Conference Grenoble,