Crystallographic Information Framework

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Index

Symmetry dictionary (symCIF) version 1.0.1

_space_group_Wyckoff.coords_xyz

Name:
'_space_group_Wyckoff.coords_xyz'

Definition:

   Coordinates of one site of a Wyckoff position expressed in
   terms of its fractional coordinates (x,y,z) in the unit cell.
   To generate the coordinates of all sites of this Wyckoff
   position, it is necessary to multiply these coordinates by the
   symmetry operations stored in _space_group_symop.operation_xyz.

Example:

x,1/2,0 coordinates of Wyckoff site with 2.. symmetry

Type: char

Mandatory item: no


Enumeration default: x,y,z

Category: space_group_Wyckoff


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.