Index

Modulated structures dictionary (msCIF) version 3.2.1

_atom_site_occ_xharm.atom_site_label

Definition:

   

      Modulation parameters are usually looped in separate lists.
      Modulated parameters are the atom positions (displacive
      modulation), the atomic occupation (occupational modulation)
      and/or the anisotropic (or isotropic) ADP.  
      _atom_site_occ_xharm.atom_site_label is the
      code that identifies an atom or rigid group in a loop in which
      the x-harmonic components of its occupational modulation are listed.
      This code must match the _atom_site.label of the associated coordinate
      list and conform to the rules described in _atom_site.label.

Type: Code

Category:
atom_site_occ_xharm