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. 3.4, p. 139

Appendix A3.4.1. Category structure of the msCIF dictionary

G. Madariagaa*

aDepartamento de Física de la Materia Condensada, Facultad de Ciencia y Tecnología, Universidad del País Vasco, Apartado 644, 48080 Bilbao, Spain
Correspondence e-mail:

Table A3.4.1.1[link] shows all categories that are represented in the msCIF dictionary.

Table A3.4.1.1| top | pdf |
Categories in the modulated structures CIF dictionary

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

ATOM group (§[link]) AUDIT group (§[link])
 ATOM_SITE (§[link](a)) ¶  AUDIT (§[link](a)) [\ddag]
  (§[link](a)) CELL group (§[link])
  (§[link](b))  CELL_SUBSYSTEM (§[link](b))
  (§[link](a))  CELL_WAVE_VECTOR (§[link](d))
  (§[link](c)) DIFFRN group (§[link])
  (§[link](d))  DIFFRN_REFLNS (§[link](b)) ¶
  (§[link](e))   (§[link](c)) ¶
  (§[link](b))  EXPTL_CRYSTAL (§[link](a)) ¶
 ATOM_SITE_ROT_FOURIER   (§[link](b)) ¶
  (§[link](f)) GEOM group (§[link])
  (§[link](g))  GEOM_BOND (§[link](b)) ¶
 ATOM_SITE_U_FOURIER (§[link](h))  GEOM_CONTACT (§[link](c)) ¶
  (§[link](i)) REFINE group (§[link])
  (§[link](j)) REFLN group (§[link])
  (§[link](k))  REFLNS (§[link](b)) ¶
  (§[link](l))  SPACE_GROUP (§[link](a)) ¶
    (§[link](b)) ¶

¶ Categories already defined in the core CIF dictionary but containing new items.
[\ddag] A stricter definition than that given in the core CIF dictionary.

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