Index

Modulated structures dictionary (msCIF) version 3.2.1

_atom_site_rot_Fourier.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_rot_Fourier.atom_site_label is the code that
      identifies a rigid group in a loop in which the Fourier
      components of the rotational part of its displacive modulation
      are listed. The translational part (if any) would appear in a
      separate list (see _atom_site_displace_Fourier.atom_site_label).
      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_rot_Fourier