The material structure described by Cd(CuSe)2 crystallizes in the trigonal P-3m1 space group. Cu(1) is bonded to four equivalent Se(1) atoms to form distorted CuSe4 tetrahedra that share corners with six equivalent Cd(1)Se6 octahedra, corners with six equivalent Cu(1)Se4 tetrahedra, edges with three equivalent Cd(1)Se6 octahedra, and edges with three equivalent Cu(1)Se4 tetrahedra. The corner-sharing octahedral tilt angles range from 10-54°. Cd(1) is bonded to six equivalent Se(1) atoms to form CdSe6 octahedra that share corners with twelve equivalent Cu(1)Se4 tetrahedra, edges with six equivalent Cd(1)Se6 octahedra, and edges with six equivalent Cu(1)Se4 tetrahedra. Se(1) is bonded to four equivalent Cu(1) and three equivalent Cd(1) atoms to form a mixture of distorted edge and corner-sharing SeCd3Cu4 pentagonal bipyramids. is represented by the CIF file [CIF]
data_Cd(CuSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.990
_cell_length_b   3.990
_cell_length_c   6.878
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   94.851
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.667  0.333  0.594  1.0
  Cu  Cu2  1  0.333  0.667  0.406  1.0
  Se  Se3  1  0.667  0.333  0.244  1.0
  Se  Se4  1  0.333  0.667  0.756  1.0
[/CIF]
.
The material structure described by Cd(CuSe)2 crystallizes in the trigonal P-3m1 space group. Cu(1) is bonded to four equivalent Se(1) atoms to form distorted CuSe4 tetrahedra that share corners with six equivalent Cd(1)Se6 octahedra, corners with six equivalent Cu(1)Se4 tetrahedra, edges with three equivalent Cd(1)Se6 octahedra, and edges with three equivalent Cu(1)Se4 tetrahedra. The corner-sharing octahedral tilt angles range from 10-54°. Cd(1) is bonded to six equivalent Se(1) atoms to form CdSe6 octahedra that share corners with twelve equivalent Cu(1)Se4 tetrahedra, edges with six equivalent Cd(1)Se6 octahedra, and edges with six equivalent Cu(1)Se4 tetrahedra. Se(1) is bonded to four equivalent Cu(1) and three equivalent Cd(1) atoms to form a mixture of distorted edge and corner-sharing SeCd3Cu4 pentagonal bipyramids. is represented by the CIF file [CIF]
data_Cd(CuSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.990
_cell_length_b   3.990
_cell_length_c   6.878
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   94.851
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.667  0.333  0.594  1.0
  Cu  Cu2  1  0.333  0.667  0.406  1.0
  Se  Se3  1  0.667  0.333  0.244  1.0
  Se  Se4  1  0.333  0.667  0.756  1.0
[/CIF]
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