Index

Modulated and composite structures dictionary (msCIF) version 1.0.1

_atom_site_occ_Fourier_param_modulus

Definition:

   The occupational distortion of a given atom or rigid group is
   usually parameterized by Fourier series. Each term of the series
   commonly adopts two different representations: the sine-cosine
   form,
            Pc cos(2\p k r)+Ps sin(2\p k r),
   and the modulus-argument form,
            |P| cos(2\p k r+\d),
   where k is the wave vector of the term and r is the atomic
   average position. _atom_site_occ_Fourier_param_modulus is the
   modulus (|P|) of the complex amplitude corresponding to the
   Fourier term defined by _atom_site_occ_Fourier_atom_site_label
   and _atom_site_occ_Fourier_wave_vector_seq_id.

Appears in list containing _atom_site_occ_Fourier_param_id
The permitted range is 0.0 -> infinity
Enumeration default: 0.0

Type: numb

Category: atom_site_occ_Fourier_param