Crystallographic Information Framework

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Index

Symmetry dictionary (symCIF) version 1.0.1

Category SPACE_GROUP_SYMOP

Name:
'space_group_symop'

Description:

   Contains information about the symmetry operations of the
   space group.

Example:

Example 1 - the symmetry operations for the space group P21/c. 
     loop_
    _space_group_symop.id
    _space_group_symop.operation_xyz
    _space_group_symop.operation_description
      1    x,y,z              'identity mapping'
      2    -x,-y,-z           'inversion'
      3    -x,1/2+y,1/2-z
                  '2-fold screw rotation with axis in (0,y,1/4)'
      4    x,1/2-y,1/2+z
                'c glide reflection through the plane (x,1/4,y)'


Category key:
    _space_group_symop.id

Mandatory category: no


International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

First online edition (2006)

Edited by S. R. Hall and B. McMahon

An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.