International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by S. R. Hall and B. McMahon © International Union of Crystallography 2006 |
International Tables for Crystallography (2006). Vol. G. ch. 3.4, p. 136
Section 3.4.3.3.3. Special modulation functions
a
Departamento de Física de la Materia Condensada, Facultad de Ciencia y Tecnología, Universidad del País Vasco, Apartado 644, 48080 Bilbao, Spain |
Data items in these categories are as follows:
(a) ATOM_SITE_DISPLACE_SPECIAL_FUNC
(b) ATOM_SITE_OCC_SPECIAL_FUNC
The bullet () indicates a category key. The arrow (
) is a reference to a parent data item.
Several data items cover modulation functions that are not expressed as Fourier expansions. The examples in the current msCIF dictionary are restricted to the one-dimensional modulations (sawtooth displacive and occupational crenel functions) implemented in the program JANA2000 (see Section 3.4.2).