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Modulated Structures CIF Dictionary version 1.0

_atom_site_phason_formula

Name

'_atom_site_phason_formula'

Category: atom_site_phason

Data type: char

Must appear in a looped list containing '_atom_site_phason_atom_site_label'

Permitted values:

'Axe' 'Axe, J.D., Phys. Rev. B21 (1980), 4181'
'Ovr' 'Overhauser, A.W., Phys. Rev. B3 (1971), 3173'

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_).

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