Index

Modulated structures dictionary (msCIF) version 3.2.1

_atom_site_displace_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_displace_Fourier.atom_site_label is the
      code that identifies an atom or rigid group in a loop in which
      the Fourier components of its displacive modulation are listed.
      In the case of a rigid group, this list would only include the
      translational part of its displacive modulation. The rotational
      part (if any) would appear in a separate list (see
      _atom_site_rot_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_displace_Fourier