Modulated Structures CIF Dictionary version 1.0

_atom_site_phason_coeff

Name

Category: atom_site_phason

Data type: numb (with optional s.u. in parentheses)

Must appear in a looped list containing '_atom_site_phason_atom_site_label'

Enumeration range: 0.0 -> infinity
Enumeration default: 0.0

Definition

    	
   The phason coefficient used to calculate (with the appropriate
   expression given in _atom_site_phason_formula) the atomic phason
   correction. Although this kind of correction is 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_).