Modulated and composite structures dictionary (msCIF) version 1.0.1

_atom_site_phason_formula

Name:
'_atom_site_phason_formula'

Definition:

   The formula used for the phason correction. Although both kinds
   of corrections are intended to be overall, some refinement
   programs (for example, JANA2000) allow an independent phason
   correction for each atom or rigid group. In this case,
   _atom_site_phason_formula and _atom_site_phason_coeff should
   be used (see also _refine_ls_mod_overall_phason_).

Appears in list containing _atom_site_phason_atom_site_label
The data value must be one of the following:

Axe Axe, J. D. (1980). Phys. Rev. B, 21, 4181-4190.

Ovr Overhauser, A. W. (1971). Phys. Rev. B, 3, 3173-3182.

Type: char

Category: atom_site_phason