48th Crystallographic Course at Ettore Majorana Centre, Erice, Italy

X-ray crystallography is the pre-eminent technique for obtaining the three dimensional structures of organic materials. Understanding the translation of molecules to crystals and thought functional assembles is key if we want to be able to predict and control the assembly of matter with sufficient certainty and precision to allow preparation of materials and assemblies with far more sophisticated properties and functions than are accessible in materials synthesized using current methods. Great advances continue to be made in determining crystal structures, allowing the pace of structural understanding to increase and making it possible to respond rapidly to emerging opportunities in crystal and particle engineering. This course will help to equip the next generation of scientists with a deep understanding of the tools they need to prototype and engineer crystals to design materials with increasingly sophisticated properties.

The course has two core objectives. Firstly, it will provide a review of the fundamentals and the application of crystallography to molecule to crystal to functional form design together with an evaluation of the technology at the present state. Secondly, it will review the progress in this field and summarize the application and results to other fields of interest across speciality chemicals and other fields

Topics to be discussed include:
• Molecular Structure, Chirality, Crystallography and Crystal Chemistry
• Solution Supersaturation, Nucleation and Crystal Growth Fundamentals
• Defects, Reactivity and Mechanical Properties
• Molecular to Crystal Science Modelling Route Map
• Molecular and Solid-State Data Informatics
• Nano Particle Production and Dispersion
• Advanced Multi-scale Modelling
• Process Analytics and Crystal Characterisation
• Orientational Disordered Crystals and Liquid Crystals
• Reverse Engineering: Learning from Practice
• Forward Perspective: Grand Challenges in Directed Assembly

The total fee, inclusive of registration, boarding and lodging during the course, is 1,200 Euro for European Community residents and the equivalent in hard currency for the remaining ones.

In order to reflect the multi-disciplinary nature of the Course, attendants will be selected on the basis of the scientific discipline, publication record and the connection between their current research and the listed topics. The application date might also become a priority element. Financial support for young applicants (under 35 of age) is conditional to the success of the several applications submitted by the organizing committee to international and national sources.

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The 2014 IUCr Crystallographic Computing School will take place at La Cité collégiale in Ottawa, Canada. It will introduce modern methods of programming crystallographic calculations in a series of lectures and in-depth tutorials by leading crystallographic software developers. Our teachers are drawn from across the crystallographic world and include experts in protein, small-molecule and powder crystallography. By working together, we aim to share what we know with the next generation of crystallographic developers.

The School is intended for senior postgraduates and postdocs in all areas of crystallography (including macro- and small-molecule crystallography, powder diffraction, and small-angle scattering) who may want to become involved in software development, but lack experience in this.

The registration fee will be C$325; self-catering accommodation in College apartments is available from C$50 a night.

The registration deadline is June 27th 2014.

Symmetry relationships between crystal structures with application to structural phase transitions

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OpenLab and crystallographic training in X-ray Powder Diffraction

Partners of IUCr and UNESCO for OpenLab Ghana: PANalytical BV

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Venue:Â Department of Physics, University of Ghana in Accra, Ghana

Important dates
Application deadline (with financial support request): 5 May 2014

Participation in this OpenLab is limited to 30 students (a minimum of 10 is required to confirm the OpenLab).

A UNESCO/International Union of Crystallography initiative in collaboration with PANalytical BV, F. Malawi Engineering Co. Ltd., and the Department of Physics at the University of Ghana in Accra, Ghana.

We invite you to register for training scheduled for 09 â€" 12 June 2014 at the “Centre for African Wetlands”, Ebenezer Laing Road, on the campus of the University of Ghana in Accra. Diffraction equipment is housed in the Department of Physics on campus.

Lecturers:

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• Prof Gilberto Artioli (Università di Padova), co-author of the volume “Fundamentals of Crystallography”, C. Giacovazzo ed., IUCr-Oxford University Press, and author of “Scientific Methods and Cultural Heritage”, Oxford University Press.
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• Dr. Nicholas Norberg (PANalytical)

TOPIC I: X-ray Physics

• The nature of X-rays
• Interaction of X-rays with crystalline matter
• Crystal and symmetry
• X-ray diffraction: theory

TOPIC II: Data collection and treatment

• Sample preparation
• Experimental configurations and X-ray optics
• Practical aspects of data collection
• Practical aspects of data processing
• Indexing
• Phase identification and quantification
• Information about structure solution and the Rietveld method
• Random and systematic errors
• Crystallographic databases

TOPIC III: Application

• Hands on â€" bring your own material for analysis
• Crystallography and its application in mining
• Some advanced applications
• Careers in crystallography
• Commonly used software and interpretation of program output

Read more and register here:
http://www.panalytical.com/Event/OpenLab-Ghana.htm

Closing date for participation is 5 May 2014

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14 to 25 October 2013 â€" Florianópolis - Brazil

In this School of Advanced Studies will be treated theoretical and practical aspects of crystallographic methods applied to the determination of the chemical structure of materials. The proposed themes for the School involve all material science, control and Description of industrial crystallization processes, nanotechnology, and especially polymorphism and co-crystallisation of drugs. The second school in Crystallization and Crystallography for Latin America (ECRISLA) will feature internationally recognized experts and will be taught at the Federal University of Santa Catarina, Florianópolis, Brazil.

Theoretical aspects

Theoretical studies of X-ray diffraction of single crystals to determine new structures using area detectors. Theoretical studies of X-ray diffraction powder for identifying polymorphs and co-crystals in drugs and the possibilities of determination of average crystallite size and microstrain.

 Practical aspects

Knowledge and experience applied to problems crystallography using X-ray diffraction monocrystal using area detectors in different fields of research. Applications of the techniques of X-ray diffraction of the powder to the study and control of active pharmaceutical ingredients in industrial level. Use and practical software for determination of average crystallite size and microstrain.

The fourth Australasian Course in Macromolecular Crystallisation will be held in Parkville, Victoria (Melbourne) between the 9th and 13th of December, 2013. Â This course is an intensive, hands-on practical course that combines lectures on all aspects of macromolecular crystallisation, from sample preparation to cryo-protection and harvesting of crystals. One day will be spent at the MX and SAX beamlines of the Australian Synchrotron.Â

Invited International lecturers: Jim Pflugrath (Rigaku Americas), Terese Bergfors (Uppsala University), Martin Caffrey (Trinity College, Dublin), James Holton (LBL, ALS) and Rob Thorne (Cornell University) as well as stars from Australia.

The First Latin American Crystallography Meeting is being organized as a joint event with the IXth Annual Meeting of the Argentinean Crystallographic Association in Córdoba, Argentina. It will be hosted by the Universidad Nacional de Córdoba - www.unc.edu.ar , coinciding with the celebration of the 400th anniversary of its foundation in 1613. UNC is the oldest university in Argentina and number 4 among the oldest in Latin America. Its original pavilions and buildings have been declared by UNESCO as World Cultural Heritage of Humanity.

The scientific program will include plenary lectures, oral presentations and poster sessions. Full details and information can be found at the homepage of the event: www.cristalografia2013.com.ar. Satellite meetings include a "Workshop on neutron techniques for the characterization of materials" and a "School on crystal structure analysis and microcrystalline characterization using powder diffraction data".

The Abdus Salam International Centre for Theoretical Physics (ICTP, Trieste, Italy), in cooperation with iThemba Labs - National Research Foundation (SA) Cape Town Campus, Stellenbosch, South Africa is organizing an Advanced School on Synchrotron Radiation Techniques and Nanotechnology: A Synergic Approach to Life Sciences and Medicine to be held in Cape Town, Stellenbosch, South Africa.Â

In the post-genomic era the emphasis has shifted from genes to proteins and to the understanding of their structure and biological function. The rapid development of nano-sciences has made available a new range of tools and approaches that have revolutionized biological and medical research, by allowing scientist to manipulate nano-particles and macromolecular objects and to monitor the behaviour of single molecules. Not only is this having a great impact on basic biological research, but its applications have become a driving and innovative force in the modern economic and industrial framework, particularly for health and biotechnology.

Topics will include:

• Macromolecular crystallography,
• Single particle electron microscopy,
• Small angle X-ray scattering,
• Computational biology,
• Nano-biophysics,
• High resolution atomic force microscopy,
• Nano-mechanics and tissue engineering.Â

The aim of the school is to introduce young researchers to the latest developments in the field of structural biology, nano-biophysics and nano-medicine and to their revolutionary impact on biotechnology, pharmacology and early diagnostics of widespread diseases. Potential applications range from low-cost diagnostic tools and therapeutics for neglected diseases (such as malaria, Dengue, AIDS) to the development of local biotechnology industry. A few practical sessions will provide the students with some hands-on experience in some of the subjects covered by the lectures.Â

MaThCryst Workshop on Mathematical Crystallography

Symmetry relationships between crystal structures with application to structural phase transitions

Banaras, India, 27-31 October 2014

In cooperation with the IUCr Commission on Inorganic and Mineral Structures

Venue

Indian Institute of Technology, Banaras Hindu University, Varanasi-221005, INDIA

ProgramÂ

1st day: Basic facts on crystallographic groups

Coordinator and main lecturer: M. Nespolo

• Symmetry groups and types of symmetry in direct space: morphological symmetry; symmetry of physical properties; symmetry of lattices; symmetry of the unit cell content; symmetry of crystallographic patterns; Hermann-Mauguin symbols for point groups.
• Space groups and their description in International Tables for Crystallography, Vol. A. Classification of space groups: Lattice systems and crystal systems. Hermann-Mauguin symbols for space groups. Symmetry-elements and general-position space-group diagrams. General and special positions, site-symmetry groups, crystallographic orbits.
• Practical: Description of space groups in International Tables for Crystallography, Vol. A.

2nd day: Symmetry relationships between crystal structures

Coordinator and main lecturer: M.I. Aroyo

• Group-subgroup relations (general considerations): index, coset decomposition and normal and conjugate subgroups. Subgroups of space groups: types of subgroups of space groups; Hermann theorem and maximal subgroups. Relations of Wyckoff positions for a group-subgroup pair. Supergroups of space groups.
• Practical: Online tools for subgroups of space groups on the Bilbao Crystallographic Server.
• Crystal-structure descriptions. Basis transformations and crystal-structure descriptions; structure descriptions compatible with symmetry. Equivalent crystal structure descriptions. Comparison of crystal structures.
• Practical: Online tools for comparison of crystal structures on the Bilbao Crystallographic Server.
• Crystal-structure relations. Group-subgroup relations between space groups and the construction of structure family trees (Baernighausen trees). Structural pseudosymmetry. Pseudosymmetry search for new ferroics.
• Practical: Online tools for the analysis of crystal-structure relations and pseudosymmetry search on the Bilbao Crystallographic Server.

3rd day: Representations of crystallographic groups

Coordinator and main lecturer: M.I. Aroyo

• Representations of point groups: General remarks on representations. Equivalent, reducible and irreducible representations. Characters of representations and character tables. Simple applications of representations in solid-state physics and chemistry problems.
• Practical: Online tools for representations of point groups on the Bilbao Crystallographic Server.
• Representations of space groups: Representation of the translation group. Star of a representation. Little groups and small representations. Representations of symmorphic and non-symmorphic groups.
• Practical: Online tools for representations of space groups on the Bilbao Crystallographic Server.

4th day: Structural phase transitions

Coordinator and main lecturer: J.M. Perez-Mato

• Representation theory tools in the analysis of phase transitions. Primary and secondary order parameters; couplings and faintness index. Order parameter direction and isotropy subgroups. Group-theoretical formulation of the necessary conditions for second-order phase transitions.
• Practical: Online tools for analysis of structural phase transitions
• Symmetry-mode analysis of structural phase transitions. Hierarchy of modes.
• Symmetry-modes applications in structure refinement.
• Practical: Online tools for symmetry-mode analysis.

5th day: Phase-transition studies of advanced materials

Coordinator: D. Pandey

• 1. Lecturer: Juan Rodriguez Carvazal / J.M. Perez-Mato
• • Application of representation theory to magnetic structures and magnetic phase transitions. Derivation of some simple magnetic configurations with an introduction to Bertaut's representation analysis.
  • Practical : Simultaneous Rietveld refinement of magnetic and nuclear structures
• 2. Lecturer: B Mihailova
• • Interpretation of Raman and IR spectra of displacive ferroelectrics using representation theory
• 3. Lecturer: D Pandey
• • Structural aspects of Ferroelectric, Antiferroelectric, Quantum Ferroelectric, Antiferrodistortive and Multiferroic Phase Transitions

INTRODUCTION AND OBJECTIVES

Faculty of Sciences, University Mohammed I Oujda-er and the Moroccan Association of Crystallography (AMC) organized the 5th Moroccan School of Crystallography from 23 to 27 October 2013.
CMA organizes every two years a school on topics related to crystallography. The 1st school was held at the Faculty of Sciences of Marrakech in 2002, 2nd Faculty of Sciences El Jadida 2004, the 3rd Faculty of Sciences in Agadir 2006, the 4th at the Faculty of Sciences of Rabat in 2008 and the 24th European Meeting of crystallography ECM24 in Marrakech 2007.
This scientific event is part of the preparations for the International Year of Crystallography 2014.
The objective of this scientific event is to bring together potential users of crystallography, academics and industry to review the latest developments in this field. In addition to the fundamental aspect of crystallography, multiple applications extend the mining industry to the pharmaceutical industry through metallurgy and nuclear. This course is intended for researchers, PhD students, teachers and researchers and engineers. It will be moderated by scientists internationally renowned personalities in the form of conferences, courses and practical work. Part will be dedicated to the demonstration of new hardware and software to the latest crystallography.

The International Workshop on Bulk Nitride Semiconductor (IWBNS) is designed to implement and increase information exchange and collaboration among academic, industrial, and government scientists on challenges of growing high quality Group III nitride crystals with low concentration of structural defects and controlled conductivity type.Â

This workshop has been previously held in Brazil (2000, 2002, 2007), Poland (2004, 2009), and Japan (2006, 2011). For the first time, worldwide expert on bulk nitride related science and technology will meet in Germany

The IWBNS-VIII will focus on the most recent advances and potential approaches to solve remaining challenges on group-III nitride crystals growth and conductivity type control, surface preparation, fast growth and deposition rates, polarity control, device grade homoepitaxial films, doping, characterization, optical and electronic properties, device fabrication and characterization, modeling and theory.Â

The very generous support of the German Science Foundation (DFG) is gratefully acknowledged.Â

Dr. Elke Meissner, Fraunhofer IISB
Chair of IWBNS-VIII

FALL 14 N: Crystallography in materials science: Novel methods for novel materials

Crystal structure is one of principal factors determining the material properties. X-ray, neutron and electron diffraction methods of crystal and defect structure investigation are continuously developing, leading to new opportunities in materials investigation. The symposium will be a forum of presentation of such methods and their applications.
Crystallography provides multiple tools for solving scientific and technological problems in materials science. X-ray, neutron and electron diffraction methods of crystal and defect structure investigation are helpful in design and understanding of physical properties and chemistry of advanced materials, at each stage of the work on materials properties, design, manufacturing and applications. Such sophisticated tools, both experimental and theoretical ones, serve for studies of crystal structure and the defect structure of modern materials. The progress is observed in:

• in instrumentation
• availability of improved X-ray beams (high intensity, collimation down to tens of nanometers)
• elaboration of new software and databases for structure analysis).

Diffraction methods have been developing rapidly during last decades. They can be used for solving a variety of problems including crystal structure solution, defect structure determination, understanding of thin film structure and quality. structure variation mapping, structure dynamic changes, chemical reactions. Generally, the knowledge of structure may serve for:

• construction of phase diagrams
• explanation of physicochemical properties of materials
• materials design
• materials applications at specific conditions
• structure property relationship in specific materials
• dynamic changes (chemical reactions), even those occuring at the femtosecond scale,
• solving energy related problems,
• biological applications,
• solving geophysical problems

The studies involve the design of the material elaboration, its physicochemical properties, and its manufacturing, etc. All they help in analysis and understanding of the material and consequently to improve the existing materials or to design of new materials.

The Workshop of "New Materials of Novel Properties at Extended Pressures & Forum to Celebrate International Cystallography Year" is at the auspices of IUCr to celebrate the 100 years anniversary initiated by the General Assembly of the United Nations (IYCr) since Max von Laue received the Nobel Prize for his discovery on X-ray diffraction by crystals. The Workshop is proposed through the IUCr Commission on Crystallography of Materials with the support of Commission on High Pressure. The workshop is supported by China Center of Advanced Science and Technology (CCAST). According to IUCr policy, young scientists with maximum age 30 (exception 35) are encouraged to attend the workshop. We have limited financial support to cover the local expenses for those young participants. The Workshop will aim at views exchange on the update progress on new materials, the correlation of properties with crystal structures, new synthesis & characterizations methods of crystal materials, to foster interdisciplinary discussions and international scientific collaboration.

This meeting, which is to be one of the first official events of the International Year of Crystallography, 2014, as declared by UNESCO and the IUCr, provides a forum in which the greater Southern African scientific community can get exposure to recent developments in powder diffraction, as presented by internationally recognized leaders. And secondly, an opportunity for the African researchers, to present their own work in these areas to their national and international peers.

Powder diffraction along with its affiliated techniques; have evolved greatly in recent decades. Its domain is no longer primarily limited to qualitative and quantitative analysis of mineralogical and industrial samples, and advances in instrumentation and the development of new methodologies have seen it increasing being used in studies that address contemporary scientific and socially important challenges. Significant fields of activity now include the study of energy and other functional materials, polymorphism, various catalytic systems and mechanistic details of phase changes, gas solid reactions and interactions, using some powder diffraction related technique. The latter including; structure determination, Rietveld refinement, non-ambient studies, as well as total scattering based methods which have extended the reach of powder diffraction to include short range order phenomena, normally associated with amorphous or nano materials. Furthermore, reflectometry, small angle scattering, neutron based methods and electron crystallography, all important to materials science should all be well represented.

This course will deal with theoretical aspects of physico-chemical knowledge of crystallization methods and crystallography, applied to crystal growth, crystal structural characterization, materials science, industrial crystallization, nanotechnology and pharmaceutical drugs. Practical aspects will include handling database tools for the crystallization and determination of molecular structures. Experience will be gained in the use of specific crystallography and pharmaceutical databases.
This kind of school (the first one in Costa Rica) is very useful for post-graduate students with intensive courses giving an overview of crystallization and polymorphism.

School aim:

The aim of this school will be to cover all aspects of the structure solution process in macromolecular crystallography, starting from data processing, through phasing and refinement to structure completion and analysis.
The workshop will cover many popular programs used for data processing and structure determination, with the developers available to help throughout the meeting. Programs covered will include: Mosflm, Scala, XDS, Refmac, ARP/wARP, Phaser, AutoSharp, Coot, SHELXC/D/E, BALBES, MrBUMP, Crank, Buccaneer and many more.

Intended audience :

The course is intended mainly for graduate students, postdoctoral researchers and young scientists in the area of structural biology. Candidates working in South American countries will be prioritized, but applications are welcome from all around the globe. The school is not meant as an introductory level course to protein crystallography. It is designed more for applicants with reasonable expertise in crystallography and some experience with the CCP4 suite. The purpose of the school is to address specific problems that the applicants face while processing diffraction data and while solving and refining novel structures. Applicants with collected data or partially processed data will be given strong consideration, particularly if they are having trouble with image processing, phasing or refinement. However, these are not mandatory requirements and all applications will be considered.
Several of the leading PX software developers from around the world will present lectures and tutorials on their software, and will also be available to help with problems during hands-on sessions throughout the workshop.

Organizers

• Alejandro Buschiazzo, PhD (Unit of Protein Crystallography, IPasteur Montevideo, Uruguay)
• Ronan Keegan, PhD (Computational Science & Engineering Dept â€" CCP4 Group, STFC Rutherford Appleton Laboratory, United Kingdom)

Supported by:  Centro de Biologia Estructural del Mercosur (CeBEM, Mercosur), Collaborative Computational Project Nº4 (CCP4, UK), Science and Technology Facilities Council (UK), Reseau International des Instituts Pasteur (RIIP), International Union of Crystallography (IUCr), and Institut Pasteur de Montevideo.