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Modulated structures dictionary (msCIF) version 3.2.1

Category GEOM_CONTACT

Name:
'GEOM_CONTACT'

Parent category:
GEOM

Definition:

   
     The CATEGORY of data items used to specify the interatomic
     contact distances in the structural model.

Category is of type Loop

Category keys:
    _geom_contact.atom_site_label_1
    _geom_contact.atom_site_label_2
    _geom_contact.site_ssg_symmetry_1
    _geom_contact.site_ssg_symmetry_2

This category contains the following items


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.