Crystallographic Information Framework

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Index

Restraints dictionary version 1.0

Category RESTR_U_RIGID

Name:
'_restr_U_rigid_[]'

Definition:

   The items in this category restrains the anisotropic
   displacement parameters of two atoms to be equal
   within a certain *_target_weight_param along the
   direction of the vector joining the atoms.

Example:

Example 1. 
 
    loop_
    _restr_U_rigid_atom_site_label_1
    _restr_U_rigid_site_symmetry_1
    _restr_U_rigid_atom_site_label_2
    _restr_U_rigid_site_symmetry_2
    _restr_U_rigid_target_weight_param
    _restr_U_rigid_U_parallel
    _restr_U_rigid_diff
    _restr_U_rigid_details
        C1 1_555 C2 2_655 0.001 0.0023(2) 0.0006 'C1-C2 is a rigid bond'


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.