INTERNATIONAL TABLES

for CRYSTALLOGRAPHY

Volume G

Definition and Exchange of Crystallographic Data

4.7. Symmetry dictionary (symCIF)

I. D. Brown

Abstract

This chapter presents the contents of the symmetry CIF dictionary (symCIF).

The data names defined in the symCIF dictionary give a more complete description of symmetry than the items in the original coreCIF dictionary.

Version 1.0.1 of the symCIF dictionary contains definitions for 29 data items grouped in three categories.

References

Grosse-Kunstleve, R. W. (2001). Xtal System of Crystallographic Programs, System Documentation. http://xtal.crystal.uwa.edu.au/man/xtal3.7-228.html (or follow links to Docs->Space-Group Symbols from http://xtal.sourceforge.net).

Hall, S. R. (1981). Space-group notation with an explicit origin. Acta Cryst. A37, 517-525; erratum (1981), A37, 921.

International Tables for Crystallography (2001). Volume B, Reciprocal space, edited by U. Shmueli, 2nd ed. Appendix 1.4.2. Dordrecht: Kluwer Academic Publishers.

International Tables for Crystallography (2002). Volume A, Space-group symmetry, edited by Th. Hahn, 5th ed. Dordrecht: Kluwer Academic Publishers.