The structure described by CdS2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. Cd(1) is bonded to six equivalent S(1) atoms to form CdS6 octahedra that share corners with twelve equivalent Cd(1)S6 octahedra and corners with six equivalent S(1)Cd3S tetrahedra. The corner-sharing octahedral tilt angles are 68°. S(1) is bonded to three equivalent Cd(1) and one S(1) atom to form SCd3S tetrahedra that share corners with three equivalent Cd(1)S6 octahedra and corners with fifteen equivalent S(1)Cd3S tetrahedra. The corner-sharing octahedral tilt angles are 73°. is represented by the CIF file [CIF]
data_CdS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.353
_cell_length_b   6.353
_cell_length_c   6.353
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.466
_cell_formula_units_Z   4
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  0.500  0.500  0.000  1.0
  Cd  Cd1  1  0.500  0.000  0.500  1.0
  Cd  Cd2  1  0.000  0.500  0.500  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.094  0.906  0.406  1.0
  S  S5  1  0.906  0.406  0.094  1.0
  S  S6  1  0.406  0.094  0.906  1.0
  S  S7  1  0.594  0.594  0.594  1.0
  S  S8  1  0.906  0.094  0.594  1.0
  S  S9  1  0.094  0.594  0.906  1.0
  S  S10  1  0.594  0.906  0.094  1.0
  S  S11  1  0.406  0.406  0.406  1.0
[/CIF]
.
The structure described by CdS2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. Cd(1) is bonded to six equivalent S(1) atoms to form CdS6 octahedra that share corners with twelve equivalent Cd(1)S6 octahedra and corners with six equivalent S(1)Cd3S tetrahedra. The corner-sharing octahedral tilt angles are 68°. S(1) is bonded to three equivalent Cd(1) and one S(1) atom to form SCd3S tetrahedra that share corners with three equivalent Cd(1)S6 octahedra and corners with fifteen equivalent S(1)Cd3S tetrahedra. The corner-sharing octahedral tilt angles are 73°. is represented by the CIF file [CIF]
data_CdS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.353
_cell_length_b   6.353
_cell_length_c   6.353
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.466
_cell_formula_units_Z   4
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  0.500  0.500  0.000  1.0
  Cd  Cd1  1  0.500  0.000  0.500  1.0
  Cd  Cd2  1  0.000  0.500  0.500  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.094  0.906  0.406  1.0
  S  S5  1  0.906  0.406  0.094  1.0
  S  S6  1  0.406  0.094  0.906  1.0
  S  S7  1  0.594  0.594  0.594  1.0
  S  S8  1  0.906  0.094  0.594  1.0
  S  S9  1  0.094  0.594  0.906  1.0
  S  S10  1  0.594  0.906  0.094  1.0
  S  S11  1  0.406  0.406  0.406  1.0
[/CIF]
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