Crystallographic Information Framework

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Index

Restraints dictionary version 1.0

Category RESTR_U_ISO

Name:
'_restr_U_iso_[]'

Definition:

   This restraint attempts to make an anisotropic
   atomic displacement isotropic within the range of the
   weighting parameter.
   It corresponds to SHELX ISO.

Example:

Example 1. 
 
    loop_
    _restr_U_iso_atom_site_label
    _restr_U_iso_weight_param
        Na1  0.003
        O3   0.008
        O8   0.008


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.