Index

Modulated structures dictionary (msCIF) version 3.2.1

_atom_site_Fourier_wave_vector.x

Definition:

   

      Wave vectors of the Fourier terms used in the structural model
      to describe the atomic modulation functions, expressed with
      respect to the three-dimensional reciprocal basis that spans
      the lattice of main reflections. They are linear combinations
      with integer coefficients of the independent wave vectors given
      in the _cell_wave_vector_ list. Therefore, a generic Fourier wave
      vector is expressed as k=n(1)q(1)+...+n(p)q(p), where p is given
      by _cell_modulation_dimension. In the case of composites
      described in a single data block, these wave vectors are
      expressed with respect to the three-dimensional reciprocal
      basis of each subsystem (see _cell_subsystem.matrix_W_*).

Type: Real

Evaluation method:

       With  m  as  atom_site_Fourier_wave_vector

            atom_site_Fourier_wave_vector.x   =   m.xyz[ 0 ]

Category:
atom_site_Fourier_wave_vector