Crystallographic Information Framework

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Modulated and composite structures dictionary (msCIF) version 1.0.1




   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
            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_sin is the sine
   coefficient [U(ij)s], in angstroms squared, corresponding to
   the Fourier term defined by
   and _atom_site_U_Fourier_wave_vector_seq_id.

Appears in list containing _atom_site_U_Fourier_param_id
Enumeration default: 0.0

Type: numb

Category: atom_site_U_Fourier_param