Index

Modulated structures dictionary (msCIF) version 3.2.1

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