Symmetry Data
Average Structure
- Both items are obligatory.
- Space group symbol
-
_symmetry_space_group_name_H-M
- Cell setting
-
_symmetry_cell_setting
Modulated Structure
-
The cell setting is obligatory if the average structure is not determined separately, and
one of the three possible symbols for the superspace group have to be given.
- Superspace group symbol
- _symmetry_ssg_name -
Superspace group symbol conforming an alternative definition to
those given in _symmetry_ssg_name_IT and _symmetry_ssg_name_WJJ
for one-dimensional modulated structures or superspace group name
for higher dimensions. When necessary indicate the origin and the
setting. Leave spaces between symbols referring to different
axes.
- IT symbol
- _symmetry_ssg_name_IT -
Superspace group symbol as supplied in International Tables for
Crystallography, Vol. C (1992) pp. 797-847. Valid only for
one-dimensional modulated structures. Leave spaces between
symbols referring to different axes and between the separate
components of the symbol.
- Superspace group symbol as supplied in de Wolff, Janner and
Janssen (1981) Acta Cryst. A 37, 625-636
- _symmetry_ssg_name_WJJ - Superspace group symbol as supplied in de Wolff, Janner and
Janssen (1981) Acta Cryst. A 37, 625-636. Valid only for
one-dimensional modulated structures. Leave spaces between
symbols referring to different axes.
- Cell setting
-
_symmetry_cell_setting
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