The NIST Crystallographic Data Center collects, evaluates and disseminates data on solid-state materials. NIST Crystal Data is a comprehensive database with chemical, physical and crystallographic information on all classes of well-characterized substances. These materials fall into the following categories: inorganics, organics, organometallics, metals, intermetallics and minerals. For each entry, data types include lattice parameters, crystal system, space group, chemical name, chemical formula, and literature reference, among others. NIST Crystal Data is being distributed in a multi-file format for ease of incorporation in database management systems and processing by independent software routines. This documentation describes the content and format of each of the ASCII data files. The original format for NIST Crystal Data is also described herein.
NIST Interagency/Internal Report (NISTIR) - 6767
crystallographic, database, identification, inorganic, mineral, NIST crystal data, organic