The materials community in both science and industry use crystallographic data models on a daily basis to visualize, explain and predict the behavior of chemicals and materials. Access to reliable information on the structure of crystalline materials helps researchers concentrate experimental work in directions that optimize the discovery process. The Inorganic Crystal Structure Database (ICSD) is a comprehensive collection of more than 60 000 crystal structure entries for inorganic materials and is produced cooperatively by Fachinformationszentrum Karlsruhe (FIZ), Germany, and the US National Institute of Standards and Technology (NIST). The ICSD is disseminated in computerized formats with scienti®c software tools to exploit the content of the database. Features of a new Windows-based graphical user interface for the ICSD are outlined, together with directions for future development in support of materials research and design.

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A large number of structures of biological macromolecules have been accumulated in the Protein Data Bank (PDB) and the number is expected to increase even more rapidly with the advent of the structural genomics. Efficient methods of its storage and handling are, therefore, required to fully exploit the information available. In an effort to enhance the value of the database as a member of international collaboration of PDB, we are developing pdbj-ML, an XML format for PDB. The PDBj-ML is based on the Macromolecular Crystallographic Information Format (mmCIF), which is already used in the PDB along with the traditional 'PDB format.' As an mmCIF file is a list of pairs (called data item) of 'name' and its 'value,' they are easily converted to 'tag' and 'element' that constitute elements of an XML file. Various restructuring and regrouping, however, are also introduced to make the most of the features of XML, such the hierarchical structure and attributes. The structure of PDBj-ML is described in XML Schema, rather than the conventional DTD. In addition to the format conversion, we are complementing data missing in the current PDB files and adding new structural information such as functional sites. These should improve the quality of PDB as a database. Over the past two years Bruker AXS continued their efforts to integrate all steps that are involved in the determination of a single crystal X-ray structure in their data collection and data processing software PROTEUM. The goal is to provide our customers with two highly optimized tools for the small molecule and macromolecular crystallographic worlds. Both software suites are based on a modular set of plugins. This approach, combined with a simple and easy to use graphical interface makes for two powerful crystallographic tools. They seamlessly integrate the program modules: data collection, indexing, strategy, integration, scaling, structure solution, and structure refinement. In addition to MS Windows NT/2000 as before the software now also runs under Linux. Data storage has been extended to relational databases. Thus, it is now possible to store project related information in either Oracle or PostGreSQL. As an alternative to storing data in a relational database, highly portable XML text files are also provided. Crystallographic data models are used on a daily basis to visualize, explain, and predict the behavior of chemicals and materials. Access to reliable information on the structure of chemicals and materials helps researchers concentrate experimental work in directions that optimize the discovery process. The Inorganic Crystal Structure Database (ICSD) contains full structural and bibliographic information for more than 55,000 structures. Over recent years, the Fachinformationszentrum (FIZ) Karlsruhe and the National Institute of Standards and Technology (NIST) have been building a modern infrastructure for the ICSD. This has included a re-design of the ICSD database structure, conversion and loading of the data into a relational database management syste...

Der Schnitt Li(Cu:Ge = 1:1) im Dreistoffsystem Lithium‐Kupfer‐Germanium wurde differntialthermoanalytisch und röntgenographisch untersucht. Auf diesem Schnitt liegen zwei Peritektika und ein Eutektikum. Neben der bekannten Verbindung Li2CuGe konnten die beiden bisher unbekannten Phasen Li2,5CuGe und Li1,25CuGe gefunden werden, die erhebliche Phasenbreiten aufweisen. Der Reaktionsablauf zur Bildung dieser Phasen wurde mit Hilfe der Differentialthermoanalyse näher untersucht.

The Li‐(Cu:Ge = 1:1) section of the ternary title system is characterized by two peritectic and one eutectic reactions.