Category ATOM_SITE_FOURIER_WAVE_VECTOR

Name:
'ATOM_SITE_FOURIER_WAVE_VECTOR'

Parent category:
MS_GROUP

Definition:

   
           Data items in the ATOM_SITE_FOURIER_WAVE_VECTOR category record
           details about the wave vectors of the Fourier terms used in the
           structural model. This category is fully defined in the modulated
           structures dictionary.

Examples:

Example 1 - Hypothetical example showing the modulation wave vector components expressed using the array data item _atom_site_Fourier_wave_vector_q_coeff.

    loop_
        _cell_wave_vector_seq_id
        _cell_wave_vector_x
        _cell_wave_vector_y
        _cell_wave_vector_z
              1   0.30000   0.30000   0.00000
              2  -0.60000   0.30000   0.00000
    loop_
        _atom_site_Fourier_wave_vector_seq_id
        _atom_site_Fourier_wave_vector_x
        _atom_site_Fourier_wave_vector_y
        _atom_site_Fourier_wave_vector_z
        _atom_site_Fourier_wave_vector_q_coeff
            1   -0.30000   0.60000   0.00000  [1   1]
            2   -0.60000   0.30000   0.00000  [0   1]
            3   -0.30000  -0.30000   0.00000  [-1  0]

Example 1 - As example 1, but using separate data items for each individual component of the modulation wave vector.

loop_
_cell_wave_vector_seq_id
_cell_wave_vector_x
_cell_wave_vector_y
_cell_wave_vector_z
  1   0.30000   0.30000   0.00000
  2  -0.60000   0.30000   0.00000
loop_
_atom_site_Fourier_wave_vector_seq_id
_atom_site_Fourier_wave_vector_x
_atom_site_Fourier_wave_vector_y
_atom_site_Fourier_wave_vector_z
_atom_site_Fourier_wave_vector_q1_coeff
_atom_site_Fourier_wave_vector_q2_coeff
1   -0.30000   0.60000   0.00000  1  1
2   -0.60000   0.30000   0.00000  0  1
3   -0.30000  -0.30000   0.00000 -1  0

Category is of type Loop