The material described by CdSO3 crystallizes in the trigonal R-3 space group. Cd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 74°. S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cd(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Cd(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Cd(1) and one S(1) atom. is represented by the CIF file [CIF]
data_CdSO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.336
_cell_length_b   8.336
_cell_length_c   8.336
_cell_angle_alpha   109.108
_cell_angle_beta   109.108
_cell_angle_gamma   109.108
_symmetry_Int_Tables_number   1
_cell_volume   451.782
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cd  Cd0  1  0.184  0.359  0.673  1.0
  Cd  Cd1  1  0.359  0.673  0.184  1.0
  Cd  Cd2  1  0.673  0.184  0.359  1.0
  Cd  Cd3  1  0.816  0.641  0.327  1.0
  Cd  Cd4  1  0.641  0.327  0.816  1.0
  Cd  Cd5  1  0.327  0.816  0.641  1.0
  S  S6  1  0.211  0.021  0.356  1.0
  S  S7  1  0.021  0.356  0.211  1.0
  S  S8  1  0.356  0.211  0.021  1.0
  S  S9  1  0.789  0.979  0.644  1.0
  S  S10  1  0.979  0.644  0.789  1.0
  S  S11  1  0.644  0.789  0.979  1.0
  O  O12  1  0.870  0.125  0.577  1.0
  O  O13  1  0.125  0.577  0.870  1.0
  O  O14  1  0.577  0.870  0.125  1.0
  O  O15  1  0.130  0.875  0.423  1.0
  O  O16  1  0.875  0.423  0.130  1.0
  O  O17  1  0.423  0.130  0.875  1.0
  O  O18  1  0.311  0.363  0.977  1.0
  O  O19  1  0.363  0.977  0.311  1.0
  O  O20  1  0.977  0.311  0.363  1.0
  O  O21  1  0.689  0.637  0.023  1.0
  O  O22  1  0.637  0.023  0.689  1.0
  O  O23  1  0.023  0.689  0.637  1.0
  O  O24  1  0.454  0.659  0.777  1.0
  O  O25  1  0.777  0.454  0.659  1.0
  O  O26  1  0.659  0.777  0.454  1.0
  O  O27  1  0.546  0.341  0.223  1.0
  O  O28  1  0.223  0.546  0.341  1.0
  O  O29  1  0.341  0.223  0.546  1.0
[/CIF]
.
The material described by CdSO3 crystallizes in the trigonal R-3 space group. Cd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 74°. S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cd(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Cd(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Cd(1) and one S(1) atom. is represented by the CIF file [CIF]
data_CdSO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.336
_cell_length_b   8.336
_cell_length_c   8.336
_cell_angle_alpha   109.108
_cell_angle_beta   109.108
_cell_angle_gamma   109.108
_symmetry_Int_Tables_number   1
_cell_volume   451.782
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cd  Cd0  1  0.184  0.359  0.673  1.0
  Cd  Cd1  1  0.359  0.673  0.184  1.0
  Cd  Cd2  1  0.673  0.184  0.359  1.0
  Cd  Cd3  1  0.816  0.641  0.327  1.0
  Cd  Cd4  1  0.641  0.327  0.816  1.0
  Cd  Cd5  1  0.327  0.816  0.641  1.0
  S  S6  1  0.211  0.021  0.356  1.0
  S  S7  1  0.021  0.356  0.211  1.0
  S  S8  1  0.356  0.211  0.021  1.0
  S  S9  1  0.789  0.979  0.644  1.0
  S  S10  1  0.979  0.644  0.789  1.0
  S  S11  1  0.644  0.789  0.979  1.0
  O  O12  1  0.870  0.125  0.577  1.0
  O  O13  1  0.125  0.577  0.870  1.0
  O  O14  1  0.577  0.870  0.125  1.0
  O  O15  1  0.130  0.875  0.423  1.0
  O  O16  1  0.875  0.423  0.130  1.0
  O  O17  1  0.423  0.130  0.875  1.0
  O  O18  1  0.311  0.363  0.977  1.0
  O  O19  1  0.363  0.977  0.311  1.0
  O  O20  1  0.977  0.311  0.363  1.0
  O  O21  1  0.689  0.637  0.023  1.0
  O  O22  1  0.637  0.023  0.689  1.0
  O  O23  1  0.023  0.689  0.637  1.0
  O  O24  1  0.454  0.659  0.777  1.0
  O  O25  1  0.777  0.454  0.659  1.0
  O  O26  1  0.659  0.777  0.454  1.0
  O  O27  1  0.546  0.341  0.223  1.0
  O  O28  1  0.223  0.546  0.341  1.0
  O  O29  1  0.341  0.223  0.546  1.0
[/CIF]
.