The compound described by CdIn2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Cd(1) is bonded to four equivalent S(1) atoms to form CdS4 tetrahedra that share corners with twelve equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles are 58°. In(1) is bonded to six equivalent S(1) atoms to form InS6 octahedra that share corners with six equivalent Cd(1)S4 tetrahedra and edges with six equivalent In(1)S6 octahedra. S(1) is bonded to one Cd(1) and three equivalent In(1) atoms to form a mixture of distorted edge and corner-sharing SCdIn3 trigonal pyramids. is represented by the CIF file [CIF]
data_Cd(InS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.726
_cell_length_b   7.726
_cell_length_c   7.726
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   326.090
_cell_formula_units_Z   2
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  0.500  1.0
  Cd  Cd1  1  0.750  0.750  0.750  1.0
  In  In2  1  0.125  0.125  0.625  1.0
  In  In3  1  0.125  0.125  0.125  1.0
  In  In4  1  0.125  0.625  0.125  1.0
  In  In5  1  0.625  0.125  0.125  1.0
  S  S6  1  0.885  0.885  0.346  1.0
  S  S7  1  0.346  0.885  0.885  1.0
  S  S8  1  0.885  0.346  0.885  1.0
  S  S9  1  0.365  0.365  0.365  1.0
  S  S10  1  0.885  0.885  0.885  1.0
  S  S11  1  0.904  0.365  0.365  1.0
  S  S12  1  0.365  0.904  0.365  1.0
  S  S13  1  0.365  0.365  0.904  1.0
[/CIF]
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The compound described by CdIn2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Cd(1) is bonded to four equivalent S(1) atoms to form CdS4 tetrahedra that share corners with twelve equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles are 58°. In(1) is bonded to six equivalent S(1) atoms to form InS6 octahedra that share corners with six equivalent Cd(1)S4 tetrahedra and edges with six equivalent In(1)S6 octahedra. S(1) is bonded to one Cd(1) and three equivalent In(1) atoms to form a mixture of distorted edge and corner-sharing SCdIn3 trigonal pyramids. is represented by the CIF file [CIF]
data_Cd(InS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.726
_cell_length_b   7.726
_cell_length_c   7.726
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   326.090
_cell_formula_units_Z   2
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  0.500  1.0
  Cd  Cd1  1  0.750  0.750  0.750  1.0
  In  In2  1  0.125  0.125  0.625  1.0
  In  In3  1  0.125  0.125  0.125  1.0
  In  In4  1  0.125  0.625  0.125  1.0
  In  In5  1  0.625  0.125  0.125  1.0
  S  S6  1  0.885  0.885  0.346  1.0
  S  S7  1  0.346  0.885  0.885  1.0
  S  S8  1  0.885  0.346  0.885  1.0
  S  S9  1  0.365  0.365  0.365  1.0
  S  S10  1  0.885  0.885  0.885  1.0
  S  S11  1  0.904  0.365  0.365  1.0
  S  S12  1  0.365  0.904  0.365  1.0
  S  S13  1  0.365  0.365  0.904  1.0
[/CIF]
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