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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