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Modulated and composite structures dictionary (msCIF) version 1.0.1

_atom_site_rot_Fourier_atom_site_label

Name:
'_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 atomic anisotropic (or isotropic) displacement
   parameters (referred to as modulation of thermal parameters,
   since the term 'displacement parameters' is ambiguous in this
   context). _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.

Appears in list containing _atom_site_rot_Fourier_id

Must match data name_atom_site_label

Type: char

Category: atom_site_rot_Fourier