The American Mineralogist crystal structure database (original) (raw)
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Special Paper 397: Geoinformatics: Data to Knowledge, 2006
Crystal structure data represent one of the most important resources for developing scientifi c knowledge and should be archived in ways that make them easy to access and preserve. The American Mineralogist Crystal Structure Database currently contains every crystal structure published in American Mineralogist, The Canadian Mineralogist, European Journal of Mineralogy, and Physics and Chemistry of Minerals. It is maintained by the American and Canadian mineralogical societies and is freely accessible through the Internet. The database consists of the data, server-side search and retrieval software and user-side analysis software. It is managed through a partnership of PHP and MySQL programming that provide dynamic construction of Web pages and search procedures. The purpose of this paper is to describe the database and its implementation and to illustrate how to construct similar small, interactive Internet databases.
Highlights in mineralogical crystallography
This is review of the following book: Highlights in mineralogical crystallography, edited by Th. Armbruster and R.M. Danisi, Berlin, D, De Gruyter, 2015, XII + 201 pp., e99.95 (hardback), ISBN 978-3-11-041704-3
Acta Crystallographica Section B Structural Science, 2002
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.
Key indicators: single-crystal X-ray study; T = 296 K; mean (C-C) = 0.003 Å; R factor = 0.042; wR factor = 0.120; data-to-parameter ratio = 16.9.
Crystals
Crystallography remains, for mineralogy, one of the main sources of information on natural crystalline substances [...]