Crystallographic Information Framework

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Index

Restraints dictionary version 1.0

Category RESTR_U_SIMILAR

Name:
'_restr_U_similar_[]'

Definition:

   This category forces the atomic displacement ellipsoids
   of atom 2 to be equal to that of atom 1 within the range
   of the weighting parameter.
   This is the same as SHELX SIMU.

Example:

Example 1. 
 
    loop_
    _restr_U_similar_atom_site_label_1
    _restr_U_similar_atom_site_label_2
    _restr_U_similar_weight_param
        C1  C2  0.08
        C2  C3  0.08


Type: null

Category: category_overview


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.