Index

Modulated and composite structures dictionary (msCIF) version 1.0.1

_atom_site_U_Fourier_param_modulus

Definition:

   The modulation of the atomic thermal parameters is usually
   parameterized by Fourier series. Each term of the series
   commonly adopts two different representations: the sine-cosine
   form,
            U(ij)c cos(2\p k r)+U(ij)s sin(2\p k r),
   and the modulus-argument form,
            |U(ij)| cos(2\p k r+\c),
   where k is the wave vector of the term and r is the atomic
   average position. _atom_site_U_Fourier_param_modulus is the
   modulus [|U(ij)|], in angstroms squared, of the complex
   amplitudes corresponding to the Fourier term defined by
   _atom_site_U_Fourier_atom_site_label,
   _atom_site_U_Fourier_tens_elem and
   _atom_site_U_Fourier_wave_vector_seq_id.

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

Type: numb

Category: atom_site_U_Fourier_param