Describes CIF, the data exchange standard of crystallography. Provides: information for scientists who wish to record or use the results of a single-crystal or powder diffraction experiment; the data ontology necessary for designing interoperable computer applications; accompanying software including machine-readable CIF dictionaries, libraries and utility programs.
An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.
This definition has been superseded and is retained here only for archival purposes. Use instead '_space_group_name_H-M_alt'
Hermann-Mauguin space-group symbol. Note that the Hermann-Mauguin symbol does not necessarily contain complete information about the symmetry and the space-group origin. If used, always supply the FULL symbol from International Tables for Crystallography Vol. A (2002) and indicate the origin and the setting if it is not implicit. If there is any doubt that the equivalent positions can be uniquely deduced from this symbol, specify the _symmetry_equiv_pos_as_xyz or *_Hall data items as well. Leave spaces between symbols referring to different axes.Examples:
|'P 1 21/m 1'|
|'P 2/n 2/n 2/n (origin at -1)'|
|'R -3 2/m'|