CIF (Crystallographic Information Framework)
A well-established standard file structure for the archiving and distribution of crystallographic information, CIF is in regular use for reporting crystal structure determinations to Acta Crystallographica and other journals.
Sponsored by the International Union of Crystallography, the current standard dates from 1997. As of July 2011, a new version of the CIF standard is under consideration.
Documentation
Identifiers
- Internal MSC ID
- msc:m6
Tools
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A tool to generate the geometrical setup for various electronic structure codes from a CIF file.
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A tool used to check the integrity and cosistency of crystal structure encodings in CIF format.
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The International Union of Crystallography's list of programs and libraries available for use with CIF files.
Known users
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American Mineralogist Crystal Structure Database
A CIF crystal structure database that includes every structure published in the American Mineralogist, The Canadian Mineralogist, European Journal of Mineralogy and Physics and Chemistry of Minerals, as well as selected datasets from other journals.
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A repository of small molecule crystal structures, many with accompanying CIF files.
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An open-access collection of crystal structures of organic, inorganic, metal-organic compounds and minerals, many of which are in CIF form.