Core dictionary (coreCIF)

Hall, Sydney R.; Allen, Frank H.; Brown, I. David; Toby, Brian H.; Hester, James R.; Vaitkus, Antanas; Rowles, Matthew R.; Bollinger, John C.; Rainer, Daniel N.; McMahon, Brian

doi:10.1107/97809553602060001011

RELATED SITES: IUCr | IUCr Journals

International
Tables for
Crystallography
Volume G
Definition and exchange of crystallographic data
Edited by J. R. Hester and B. McMahon

International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011

Chapter 4.2 Core dictionary (coreCIF)

CIF_CORE_HEAD > MODEL > GEOM > GEOM_CONTACT

Index

Core dictionary version 3.3.0

Category GEOM_CONTACT

Name:
'GEOM_CONTACT'

Parent category:
GEOM

Definition:

   
    Data items in the GEOM_CONTACT category 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_symmetry_1
    _geom_contact.site_symmetry_2

This category contains the following items

_geom_contact.atom_site_label_1

_geom_contact.atom_site_label_2

_geom_contact.distance

_geom_contact.distance_su

_geom_contact.id

_geom_contact.publ_flag

_geom_contact.site_symmetry_1

_geom_contact.site_symmetry_2

International Tables for Crystallography (2026). Vol. G. Chapter 4.2
https://doi.org/10.1107/97809553602060001011