Modulated Structures CIF Dictionary version 1.0

_atom_site_phason_atom_site_label

Name

Category: atom_site_phason

Data type: char

Must appear in a looped list
Must match a value of '_atom_site_label'

Definition

    	
   The code that identifies an atom or rigid group in a loop where
   the phason coefficients are being listed. 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_). This code must 
   match the _atom_site_label of the associated coordinate list and
   conform to the rules described in _atom_site_label.