Index

Modulated and composite structures dictionary (msCIF) version 1.0.1

_atom_site_occ_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_occ_Fourier_atom_site_label is the code that
   identifies an atom in a loop in which the Fourier 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.

Appears in list

Must match data name_atom_site_label

Type: char

Category: atom_site_occ_Fourier