Tables for
Volume G
Definition and exchange of crystallographic data
Edited by S. R. Hall and B. McMahon

International Tables for Crystallography (2006). Vol. G, ch. 3.2, p. 116

Appendix A3.2.1. Category structure of the core CIF dictionary

S. R. Hall,a* P. M. D. Fitzgeraldb and B. McMahonc

aSchool of Biomedical and Chemical Sciences, University of Western Australia, Crawley, 6009, Australia,bMerck Research Laboratories, Rahway, New Jersey, USA, and cInternational Union of Crystallography, 5 Abbey Square, Chester CH1 2HU, England
Correspondence e-mail:

Table A3.2.1.1[link] provides an overview of the structure of the core CIF dictionary by informal category group and categories.

Table A3.2.1.1| top | pdf |
Categories in the core CIF dictionary

Numbers in parentheses refer to the section of this chapter in which each category is described in detail.

ATOM group (§[link])  DIFFRN_SCALE_GROUP
 ATOM_SITE (§[link])   (§[link](d))
 ATOM_SITES (§[link])  DIFFRN_SOURCE (§[link](d))
AUDIT group (§3.2.6[link])   (§[link](e))
 AUDIT (§3.2.6[link](a))  DIFFRN_STANDARDS (§[link](f))
 AUDIT_AUTHOR (§3.2.6[link](b)) EXPTL group (§[link])
 AUDIT_CONFORM (§3.2.6[link](c))  EXPTL (§[link](a))
 AUDIT_CONTACT_AUTHOR (§3.2.6[link](d))  EXPTL_CRYSTAL (§[link](b))
 AUDIT_LINK (§3.2.6[link](e))  EXPTL_CRYSTAL_FACE (§[link](c))
CELL group (§[link]) GEOM group (§[link])
 CELL (§[link](a))  GEOM (§[link](a))
  (§[link](b))  GEOM_BOND (§[link](c))
CHEMICAL group (§[link])  GEOM_CONTACT (§[link](d))
 CHEMICAL (§[link](a))  GEOM_HBOND (§[link](e))
  (§[link](a)) JOURNAL group (§[link])
   (§[link](b))  JOURNAL_INDEX (§[link](b))
 CHEMICAL_FORMULA (§[link](b)) PUBL group (§[link])
CITATION group (§[link])  PUBL (§[link](a))
 CITATION (§[link](a))  PUBL_AUTHOR (§[link](b))
 CITATION_AUTHOR (§[link](b))  PUBL_BODY (§[link](c))
COMPUTING group (§[link])   (§[link](d))
 COMPUTING (§[link]) REFINE group (§[link])
DATABASE group (§[link])  REFINE (§[link](a))
 DATABASE (§[link])  REFINE_LS_CLASS (§[link](b))
DIFFRN group (§[link]) REFLN group (§[link])
 DIFFRN (§[link])  REFLN (§[link])
 DIFFRN_ATTENUATOR (§[link](a))  REFLNS (§[link](a))
 DIFFRN_DETECTOR (§[link])  REFLNS_CLASS (§[link](b))
   (§[link](a))  REFLNS_SHELL (§[link](d))
  (§[link](b))  SPACE_GROUP (§[link](a))
 DIFFRN_ORIENT_REFLN (§[link](c))  SPACE_GROUP_SYMOP (§[link](b))
 DIFFRN_RADIATION (§[link](b))  SYMMETRY (§[link](a))
  (§[link](c)) VALENCE group (§[link])
 DIFFRN_REFLN (§[link](a))  VALENCE_PARAM (§[link](a))
 DIFFRN_REFLNS (§[link](b))  VALENCE_REF (§[link](b))

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