Welcome to the

International Union of Crystallography

The IUCr is an International Scientific Union. Its objectives are to promote international cooperation in crystallography and to contribute to all aspects of crystallography, to promote international publication of crystallographic research, to facilitate standardization of methods, units, nomenclatures and symbols, and to form a focus for the relations of crystallography to other sciences.

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[Davide Viterbo]Davide Viterbo (1939-2017)

With great sadness we report that Professor Davide Viterbo passed away on 20 May 2017. Davide was a retired full Professor at the Dipartimento di Scienze e Innovazione Tecnologica, Universitá del Piemonte Orientale, Alessandria, Italy. He was a member of the IUCr Executive Committee 2002-2008 and maintained his close involvement with the IUCr as a member of the Sub-committee on the Union Calendar until 2014. He had also been Chair of the IUCr/OUP Book Series Selection Committee since 2008. Most recently, he chaired the Ewald Prize Selection Committee. A full obituary will be published in due course.

Posted 22 May 2017 

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IUCr Associates Programme

IUCrAssociates_right_squareThe IUCr is excited to announce its new, voluntary Associates Programme. This will launch officially at the IUCr Congress in Hyderabad in August 2017.

The programme offers a series of benefits and tools to help you network, share ideas and discover more about crystallography. In addition, by joining the IUCr Associates Programme you will be supporting the IUCr in its many charitable activities such as sponsoring international meetings and schools, and its OpenLabs initiative.

The benefits of joining include, for example, a 20% discount on the open-access fee for publishing an article in an IUCr journal, the facility to download 6 free articles from Crystallography Journals Online, a 50% discount for individuals purchasing the print version of International Tables for Crystallography, and many others.

There will also be tools for professional networking such as access to the IUCr LinkedIn group, a jobs board and opportunities to participate in the IUCr Outreach and Education programme.

The Associates Programme welcomes individuals at any stage of their career, from undergraduates to postdoctoral and senior researchers (a reduced joining rate is available for students and retired scientists).

The IUCr is offering a pre-launch discount of 20% on the Associates Programme joining fee, which gives you access to all the benefits for a period of 3 years. Anyone signing up before the launch in August will be eligible for this specially discounted rate (USD 160 or USD 48 for students and retired scientists). For more details and to register your interest in this offer, please click here.

If you have any questions about the Associates Programme, please do not hesitate to contact us at associates@iucr.org

Posted 09 Mar 2017 

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IUCr Main Editor appointments

The IUCr are pleased to announce the following new editor appointments.

Acta Crystallographica Section E: Crystallographic Communications appoints Professors Elena Boldyreva and Chiara Massera

boldyrevaactaeProfessor Elena Boldyreva received her PhD in Physical Chemistry in 1988 and Dr. Sci. in Solid State Chemistry in 2000 from the Institute of Solid State Chemistry and Mechanochemistry, Russian Academy of Sciences (Novosibirsk). She is now a Chief Researcher at this Institute and the Head of the Division of Solid State Chemistry of Novosibirsk State University. Her research interests include reactivity of solids, mechanochemistry, photo- and thermo- mechanical effects, non-ambient crystallography and spectroscopy, molecular and inorganic materials, polymorphism, crystallization, phase transitions, dissolution of molecular solids, metastable and amorphous states of molecular solids, physical pharmacy, drug research and development. Elena has held many senior committee positions, including being an elected member of the Executive Committee of the IUCr. From 2008-2017 she was a co-editor of Acta Cryst. B. From 2012-2014 she was a member of the Presidential Council of Science and Education of Russia and since 2014 has been a member of the Scientific Advisory Council of the Russian Ministry of Science and Education. She has received many national and international awards, the latest being an Honorary Doctorate from the University of Edinburgh in 2016.

Search for papers by Boldyreva, E.V. in Crystallography Journals Online

massera actaeProfessor Chiara Massera obtained her PhD in Chemistry in 2001 from the University of Parma, where she is currently Associate Professor. Her research projects focus on the crystallographic analysis of supramolecular complexes and coordination compounds, with the aim of studying molecular recognition phenomena and of elucidating structure-function correlations. She is a member of the teaching commission of the Italian Crystallographic Association, and promoter and vice-chair of GIG3, the General Interest Group on Education in Crystallography of ECA.

Search for papers by Massera, C. in Crystallography Journals Online

Acta Crystallographica Section F: Structural Biology Communications appoints Dr Mark van Raaij

markvanraaijactafDr van Raaij studied Chemistry at the University of Leiden and obtained a PhD in Biology from Cambridge University, working at the MRC Laboratory of Molecular Biology with John Walker on biochemical and structural studies of inhibitors of mitochondrial F1-ATPase. After that he pursued postdoctoral research with Stephen Cusack at the EMBL Grenoble outstation, where he solved high-resolution crystallographic structures of the human adenovirus fibre protein and its receptor. As an independent scientist, first at the University of Leiden and then at the University of Santiago de Compostela, he continued work on viral proteins, solving structures of reovirus proteins, adenovirus proteins and proteins of bacteriophage T4. Currently Mark van Raaij is a group leader at the Centro Nacional de Biotecnologia in Madrid, where his group specialises in macromolecular crystallography, concentrating on bacteriophage and adenovirus receptor-binding proteins.

Search for papers by van Raaij, M.J. in Crystallography Journals Online

Journal of Applied Crystallography appoints Professor Garry McIntyre

mcintyre jacProfessor McIntyre is currently Research Leader at the Australian Centre for Neutron Scattering, one of the landmark infrastructures run by the Australian Nuclear Science and Technology Organisation (ANSTO), which is host to OPAL, one of the youngest research reactors worldwide. He is also Visiting Professor in the Department of Chemistry at Durham University, UK. His primary role at ANSTO is management of the scientists responsible for the operation of the neutron-beam instruments and supporting X-ray instruments, neutron polarisation capability, and computer modelling. Garry’s research interests focus on neutron scattering techniques, especially single-crystal diffractometry and polarised-neutron techniques, diffraction physics, charge and spin density in molecular compounds, structural chemistry, and cultural heritage.

Search for papers by McIntyre, G.J. in Crystallography Journals Online 

The IUCr would like to take this opportunity to thank all those scientists who have expressed an interest in joining the IUCr Journals editorial board. 

Posted 08 May 2017 

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Special issue on halogen bonding

me0646There is a growing understanding in the scientific community that current scientific and technological challenges can only be efficiently met in a collaborative atmosphere and using multidisciplinary approaches. The field of halogen bonding became not just a hot research area, but also one known for its friendly openness to various scientific fields and approaches that may provide an improved understanding, a further development or an application to its central topic, the halogen bond. This welcoming openness has characterized and was well reflected by the contributions of the 2nd International Symposium on Halogen Bonding, ISXB-2, at which results from a number of fields including fundamental and computational chemistry, crystal engineering, biochemistry and molecular biology, liquid systems and applications were presented. In this special issue of Acta Crystallographica Section B, a selection of the research presented in 52 oral and 31 poster presentations of the symposium is provided for the reader, highlighting some of the main advances of this field.

It all started 200 years ago, when Jean-Jacques Colin described the formation of an iodine–ammonia complex, involving an intermolecular interaction in which iodine acts as electron acceptor and the nitrogen of ammonia as electron donor. The composition of the complex was established by Fredrick Guthrie 50 years later, the nature of the interaction first understood by Robert Mulliken in the 1950s, and the interaction rationally applied first by Odd Hassel, winning him a Nobel Prize in 1969. Although some sporadic research addressed the behavior of this phenomenon, it only became intensely studied and its existence widely accepted over the past decade. Over the past years, the focus of its investigations started moving from crystallographic and computational studies aimed at fundamental understanding to its applications in chemistry and biology, for example for the improvement of synthetic techniques and the properties of bioactive substances. The aim of this special issue is to present examples of studies on the frontiers of halogen bonding. We present this issue with the hope that it will draw the attention of the broad scientific community and raise the interest of many to enter this exciting field and contribute to the upcoming 3rd International Symposium on Halogen Bonding, ISXB-3, which will take place in Greenville, USA, June 2018.

On this occasion we would like to thank all authors for their excellent contributions.

Mate Erdelyi and Pierangelo Metrangolo
Guest editors
Posted 03 Apr 2017 

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A large-solid-angle X-ray Raman scattering spectrometer

vv5158S. Huotari and co-workers [J. Synchrotron. Rad. (2017), 24, 521-530] describe an end-station for X-ray Raman spectroscopy at beamline ID20 of the European Synchrotron Radiation Facility. The end-station is dedicated to the study of shallow core electronic excitations using non-resonant inelastic X-ray scattering.

X-ray Raman scattering (XRS) spectroscopy is a versatile tool for studying shallow X-ray absorption edges using hard X-rays. It has proven to be an invaluable technique for the study of electronic excitations in a variety of sample systems such as crystals, liquids and gases. Over the past decades, XRS has been applied to solve geoscientific questions by studying shallow core edges under extreme pressure and temperature conditions, follow chemical reactions in situ, and study liquid samples under well defined thermodynamic conditions.

Continue reading this research news story on the IUCr Crystallites blog.

Posted 30 Mar 2017 

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Journal of Applied Crystallography: Call for papers on advanced neutron scattering instrumentation

me0643Journal of Applied Crystallography invites papers on advanced neutron scattering instrumentation to appear in a special issue of the journal that will be published approximately in April 2018.

Neutron scattering facilities are called to address an ever-expanding mission in the investigation, development and application of a broad range of materials: from investigating cultural heritage artifacts to advanced bio-materials, from studies of phase transition and quantum matter to advanced engineering composites for aircraft. This breadth of applications, together with the complex problems they present for making scientific and technical progress, are key drivers for new advanced neutron sources and novel instrumentation that covers enormously broad scale ranges in both time and space.

This special issue on Neutron Instrumentation aims to highlight innovative advances in neutron scattering instrumentation at facilities around the world that address the broad scientific and industrial scope of applications that these facilities are called to meet. The scope of papers includes instrumentation at recent and planned facilities as well as instrument upgrades and new instrument development concepts. The emphasis of the volume will be innovative instrumentation and new scientific capabilities.

The deadline for paper submission will be 1 September 2017, with final publication of the special volume planned for April 2018 to coincide with the 50th anniversary of Journal of Applied Crystallography. This volume will be edited by Guest Editors Dimitri Argyriou (Ames Lab) and Andrew Allen (NIST), together with with several Guest Co-editors. Provisionally, these will include Ken Herwig (SNS), Kenji Nakajima (JPARC), Dan Neumann (NIST) and Masa Arai (ESS).

For enquiries on this volume, especially from potential authors regarding proposed paper content, please feel free to contact Dimitri Argyriou (argyriou@ameslab.gov) or Andrew Allen (andrew.allen@nist.gov). Completed articles should be submitted only via the special issue submission page at http://submission.iucr.org/submit/j?Qconf=ansi.
Posted 16 Mar 2017