Index

Modulated structures dictionary (msCIF) version 3.2.1

_cell_wave_vector.xyz

Definition:

   

      Independent modulation wave vector(s) with which the whole
      diffraction pattern is indexed, expressed as fractions of the
      three reciprocal basis vectors of the reference structure. In
      the case of composites, the modulation wave vectors of each
      subsystem are expressed in terms of the reciprocal basis of its
      corresponding reference structure. Their number must match
      _cell_modulation_dimension. In the case of composites described
      in a single data block, the wave
      vectors are expressed in the three-dimensional basis chosen as
      reference in _cell.reciprocal_basis_description, which would
      correspond to the subsystem (if any) whose W matrix is the
      {(_cell.modulation_dimension + 3)*\
      (_cell.modulation_dimension + 3)} unit matrix. In this case,\
      the wave vectors used to describe the modulation of each
      subsystem are referred to their own reciprocal basis via the W
      matrices (for details see _cell_subsystem_matrix_W_* and
      _atom_site_Fourier_wave_vector_*).

Type: Real

Values appear in Matrix context.

Dimension: [3]

Evaluation method:

    With  m  as  cell_wave_vector

            _cell_wave_vector.xyz   =   [ m.x, m.y, m.z ]

Category:
cell_wave_vector