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Modulated structures dictionary (msCIF) version 3.2.1
_atom_site_phason.formula
Name:_atom_site_phason.formula
Alias:
_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, JANA2006) 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_*).
Type: Code
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. |
Category:
atom_site_phason