[IUCr Home Page] [CIF Home Page]

Index

Modulated and composite structures dictionary (msCIF) version 1.0.1

_atom_site_displace_Fourier_param_phase

Name:
'_atom_site_displace_Fourier_param_phase'

Definition:

   The displacive distortion of a given atom or rigid group (see
   also _atom_site_rot_Fourier_param_phase) is usually parameterized
   by Fourier series. Each term of the series commonly adopts two
   different representations: the sine-cosine form,
            Ac cos(2\p k r)+As sin(2\p k r),
   and the modulus-argument form,
            |A| cos(2\p k r+\f),
   where k is the wave vector of the term and r is the atomic
   average position. _atom_site_displace_Fourier_param_phase is the
   phase (\f/2\p) in cycles of the complex amplitude corresponding
   to the Fourier term defined by
   _atom_site_displace_Fourier_atom_site_label,
   _atom_site_displace_Fourier_axis and
   _atom_site_displace_Fourier_wave_vector_seq_id.

Appears in list containing _atom_site_displace_Fourier_param_id
The permitted range is -1.0 -> 1.0
Enumeration default: 0.0

Type: numb

Category: atom_site_displace_Fourier_param