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
doi: 10.1107/97809553602060000736

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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