Symmetry dictionary (symCIF) version 1.0.1
Category SPACE_GROUP
Name:'space_group'
Description:
Contains all the data items that refer to the space group as a whole, such as its name, Laue group etc. It may be looped, for example in a list of space groups and their properties. Space-group types are identified by their number as listed in International Tables for Crystallography Volume A, or by their Schoenflies symbol. Specific settings of the space groups can be identified by their Hall symbol, by specifying their symmetry operations or generators, or by giving the transformation that relates the specific setting to the reference setting based on International Tables Volume A and stored in this dictionary. The commonly used Hermann-Mauguin symbol determines the space-group type uniquely but several different Hermann-Mauguin symbols may refer to the same space-group type. A Hermann-Mauguin symbol contains information on the choice of the basis, but not on the choice of origin. Ref: International Tables for Crystallography (2002). Volume A, Space-group symmetry, edited by Th. Hahn, 5th ed. Dordrecht: Kluwer Academic Publishers.Example:
Example 1 - description of the C2/c space group, No. 15 in International
Tables for Crystallography Volume A.
_space_group.id 1 _space_group.name_H-M_ref 'C 2/c' _space_group.name_Schoenflies C2h.6 _space_group.IT_number 15 _space_group.name_Hall '-C 2yc' _space_group.Bravais_type mS _space_group.Laue_class 2/m _space_group.crystal_system monoclinic _space_group.centring_type C _space_group.Patterson_name_H-M 'C 2/m' |
Category key:
_space_group.id
Mandatory category: yes