Index

Modulated and composite structures dictionary (msCIF) version 1.0.1

_atom_site_occ_Fourier_param_phase

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_phase is the phase
   (\d/2\p) in cycles 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 -1.0 -> 1.0
Enumeration default: 0.0

Type: numb

Category: atom_site_occ_Fourier_param