Index

Core dictionary version 3.0.14

_atom_site.site_symmetry_multiplicity

Definition:

   
     The number of different sites that are generated by the
     application of the space-group symmetry to the coordinates
     given for this site. It is equal to the multiplicity given
     for this Wyckoff site in International Tables for Cryst.
     Vol. A (2002). It is equal to the multiplicity of the general
     position divided by the order of the site symmetry given in
     _atom_site.site_symmetry_order.

Type: Integer

Evaluation method:

     With  a  as  atom_site
 
        mul  =   0
        xyz  =   a.fract_xyz
 
          Loop  s  as  space_group_symop  {
             sxyz  =   s.R * xyz + s.T
             diff  =   Mod( 99.5 + xyz - sxyz, 1.0) - 0.5
             If ( Norm ( diff ) < 0.1 ) mul +=  1
       }
    _atom_site.site_symmetry_multiplicity =  _space_group.multiplicity / mul

Category:
atom_site