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EPDIC 12 Proceedings of the Twelfth European Powder Diffraction Conference held August 27-30, 2010 in Darmstadt, Germany Editors 1 2 Hartmut Fuess , Paolo Scardi o and Udo Welzel 1 Institute of Materials Science, University of Technology, Darmstadt, Germany 2 Department of Materials Engineering and Industrial Technologies, University of Trento, Italy 3 Max Planck Institute for Intelligent Systems (formerly Max Planck Institute of Metals Research), Stuttgart, Germany Proceedings No. 1 of Zeitschrift für Kristallographie Oldenbourg Verlag EPDIC 12 Twelfth European Powder Diffraction Conference Darmstadt, Germany, August 27 - 30, 2010 Conference location: Darmstadtium Conference Center, Darmstadt, Germany Conference chairman: Hartmut Fuess Organising committee: Barbara Albert Wolfgang Donner Helmut Ehrenberg Hartmut Fuess Achim Kleebe Ralf Riedel Christina Roth Ingrid Svoboda Scientific programme committee: Paolo Scardi, Trento, Italy (Chair) Robert J. Cernik, Dares bury, UK (Co-chair) Udo Welzel, Stuttgart, Germany (Co-chair) Nathalie Audebrand, Rennes, France Pierre Bordet, Grenoble, France Radovan Cerny, Genève, Switzerland William I.F. David, Oxon, UK Andrew Fitch, Grenoble, France Hartmut Fuess, Darmstadt, Germany Antonella Guagliardi, Bari, Italy Torbjörn Gustafsson, Uppsala, Sweden Sergey A. Ivanov, Moscow, Russia Jens Erik Jorgesen, Aarhus, Denmark Arnt Kern, Karlsruhe, Germany Radomir Kuzel, Prague, Czech Republic Christian Lengauer, Vienna, Austria Irene Margiolaki, Patras, Greece Anton Meden, Ijubljana, Slovenia Bogdan Palosz, Warsaw, Poland David Rafaja, Freiberg, Germany Jordi Rius, Barcelona, Spain Arnold Vermeulen, Almelo, The Netherlands EPDIC12 has been supported by: • AJK Analytical Services (Bergen op Zoom/The Netherlands) • ¡analytic consulti GmbH & Co. KG (Roth/Germany) • Anton Paar GmbH (Graz/Austria) • Bruker AXS GmbH (Karlsruhe/Germany) • Crystal Impact GbR (Bonn/Germany) • GE Sensing & Inspection Technologies GmbH (Hürth/Germany) • Hecus X-Ray Systems (Graz/Austria) • HUBER Diffraktionstechnik GmbH & Co. KG (Rimsting/Germany) • INCOATEC GmbH (Geesthacht/Germany) • INEL (Artenay/France) • International Centre for Diffraction Data ICDD(Newtown Square/USA) • International Union of Crystallography IUCr (Chester, UK) • Marresearch GmbH (Norderstedt/Germany) • MaTeck GmbH (Juelich/Germany) • Oldenbourg Wissenschaftsverlag GmbH (München/Germany) • Panalytical GmbH (Kassel/Germany) • Rayonix LLC (Evanston/USA) • Rigaku • Röntgenlabor Dr. Ermrich (Reinheim/Germany) • Sietronics Pty Limited (Canberra/Australia) • Stoe & Cie GmbH (Darmstadt/Germany) • Xenocs SA (Sassenage/France) Ζ. Kristallogr. Proc. 1 (2011) ix-x/DOI 10.1524/zkpr.2011.0075 ix © by Oldenbourg Wissenschaftsverlag, München PREFACE The 12th edition of the European Powder Diffraction Conference EPDIC12 has been organized at Darmstadt from the 27th to the 30th of August, 2010. As the European Crystallographic Meeting ECM26 gathered scientists from the 29th of August to the 2nd of September an almost complete representation of Crystallography in Europe was achieved. More than 1300 participants came to Darmstadt to present their latest results in plenary and keynote lectures, in microsymposia, poster shows or in the commercial exhibition. The city of Darmstadt is situated in the centre of the Federal Republic of Germany and access is easy by rail, motorways and Frankfurt International Airport. Former capital of the Grand-Duché of Hessen until 1918 and the Land Hessen from 1918 to 1945, the town is now known as the "City of Sciences" (Stadt der Wissenschaft) with important institutions like the Gesellschaft für Schwerionenforschung GSI and the European Space Agencies ESA and ESOC. The Technische Universität Darmstadt, founded in 1836, is a well known centre of education for engineers and scientists. The University is linked through many channels with the GSI, ESOC, several Fraunhofer Institutes or the local MERCK company (pharmacy and chemistry). Therefore it was quite normal that the University together with EPDIC and EC A committees invited scientists to join at the newly constructed congress centre named after the chemical element 110 DARMSTADTIUM, detected in nuclear fusion processes at GSI. The EPDIC conference itself started on Friday the 28th of August by an opening speech of Paolo Scardi, the chairman of the EPDIC committee. During the opening the EPDIC-Prize for senior scientists has been awarded to Hugo Rietveld. This is a name well-known in crystallography, especially powder diffraction. The "Rietveld method" has been introduced about 45 years ago to refine neutron powder diffraction patterns by using the entire profile of the scattered intensities, not only the integrated intensities. Rietveld was at that time working at Petten at the neutron research centre in the Netherlands. The method has been extended in the following years to X-ray patterns and proved its full potential with the many powder stations at synchrotron facilities. The EPDIC-Prize for young scientists was awarded the following day to Pavol Juhas (East Lansing, USA) acknowledging his achievements in the development of new algorithms for the structure investigation of nanomaterials, especially based on synchrotron data. A special note by Robert Cernik was commemorating the late Lachlan Cranswick whose untimely death became known during the conference. Whereas about 250 participants were registered for EPDIC, additionally about 100 scientists profited from both events. The state of the art in powder diffraction was represented by six invited plenary talks. The subjects covered were on one side new developments in instrumentation and methods and on the other new materials and their properties as studied by powder diffraction. The organizers gave place to present many aspects of research at large facilities (neutrons and synchrotron) in the program. The trend to harder and harder x-rays χ European Powder Diffraction Conference, EPDIC 12 was covered by Harald Reichert from the ESRF (Grenoble, France) who explained the upgrade of existing facilities and the move to more and more microfocus beam-lines. Neutrons were presented by the director of the European Spallation Source (ESS) Colin Carlile who described the present state of the facility that is going to be built in Lund (Sweden). An overview of the instrumentation of the Japanese Spallation Source in Tokaimura (KEK, Ibaraki, Japan) was given by Takashi Kamiyama. The combination of powder diffraction with electron microscopy was demonstrated by Ute Kolb. New materials for hydrogen storage based on borohydrides and metal organic frameworks were the subject of talks by Torben Jensen (Aarhus, Denmark) and Nathalie Guillou (Versailles, France). The treatment of nanocrystalline materials by Bogdan Palosz (Warsaw, Poland) was both methodological and materials oriented. A talk by Helena van Swygenhoven-Moens (Villingen, Switzerland) was dedicated to the investigation of deformation mechanisms by in situ X-ray diffraction investigations. The great variety of contributed papers in the microsymposia and posters is well represented in the Proceedings. A first collection of the results of the conference was published in a special issue of Zeitschrift für Kristallographie devoted to the plenary contributions and selected keynotes from microsymposia (see Z. Kristallogr. 225 [12] (2010); open access). All participants with active contributions to the conference (i.e. oral or poster presentations) were invited to submit articles for the Proceedings. The editors Hartmut Fuess, Paolo Scardi and Udo Welzel received 79 contributions. After peer-review and corrections a few papers were finally not accepted, but 74 accepted articles give an excellent overview of the broad field of powder diffraction from the study of stress/strain to the solution of the structure of biological macromolecules. The editors would like to thank Mrs Maritta Dudek from the Max Planck Institute for Intelligent Systems (formerly Max Planck Institute for Metals Research) who organized the technical aspects of editing and printing in close collaboration with Kristin Berber-Nerlinger from the publisher. We are grateful to all participants of EPDIC 12 and to all contributors to the Proceedings and we are looking forward to EPDIC 13 in Grenoble in 2012. Hartmut Fuess, May 2011, Darmstadt Paolo Scardi, May 2011, Trento Udo Welzel, May 2011, Stuttgart