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Index

Modulated and composite structures dictionary (msCIF) version 1.0.1

Category SPACE_GROUP_SYMOP

Name:
'_space_group_symop_[ms]'

Definition:

   The SPACE_GROUP_SYMOP category introduced in the symmetry CIF
   dictionary (cif_sym.dic) is intended to replace the original
   core SYMMETRY_EQUIV category. It contains information about the
   symmetry operations of the space group. For modulated structures,
   superspace-group descriptions may be included in the same
   category, but include the _ssg_ flag to indicate their
   dimensionality of > 3.

Example:

Example 1 - example corresponding to the one-dimensional incommensurately modulated structure of K~2~SeO~4~.
 
    loop_
        _space_group_symop_ssg_id
        _space_group_symop_ssg_operation_algebraic
                1                       x1,x2,x3,x4
                2                       1/2+x1,1/2-x2,1/2-x3,x4
                3                       1/2-x1,1/2+x2,-x3,1/2-x4
                4                       -x1,-x2,1/2+x3,1/2-x4
                5                       -x1,-x2,-x3,-x4
                6                       1/2-x1,1/2+x2,1/2+x3,-x4
                7                       1/2+x1,1/2-x2,x3,1/2+x4
                8                       x1,x2,1/2-x3,1/2+x4



Type: null

Category: category_overview