The structure described by CuTeSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. Cu(1) is bonded to three equivalent Te(1) and three equivalent Se(1) atoms to form CuTe3Se3 octahedra that share corners with twelve equivalent Cu(1)Te3Se3 octahedra, corners with three equivalent Te(1)Cu3Se tetrahedra, and corners with three equivalent Se(1)Cu3Te tetrahedra. The corner-sharing octahedral tilt angles are 64°. Te(1) is bonded to three equivalent Cu(1) and one Se(1) atom to form TeCu3Se tetrahedra that share corners with three equivalent Cu(1)Te3Se3 octahedra, corners with six equivalent Te(1)Cu3Se tetrahedra, and corners with nine equivalent Se(1)Cu3Te tetrahedra. The corner-sharing octahedral tilt angles are 79°. Se(1) is bonded to three equivalent Cu(1) and one Te(1) atom to form SeCu3Te tetrahedra that share corners with three equivalent Cu(1)Te3Se3 octahedra, corners with six equivalent Se(1)Cu3Te tetrahedra, and corners with nine equivalent Te(1)Cu3Se tetrahedra. The corner-sharing octahedral tilt angles are 78°. is represented by the CIF card [CIF]
data_CuTeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.400
_cell_length_b   6.400
_cell_length_c   6.400
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   262.186
_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
  Cu  Cu0  1  0.510  0.490  0.990  1.0
  Cu  Cu1  1  0.490  0.990  0.510  1.0
  Cu  Cu2  1  0.990  0.510  0.490  1.0
  Cu  Cu3  1  0.010  0.010  0.010  1.0
  Te  Te4  1  0.880  0.120  0.620  1.0
  Te  Te5  1  0.120  0.620  0.880  1.0
  Te  Te6  1  0.620  0.880  0.120  1.0
  Te  Te7  1  0.380  0.380  0.380  1.0
  Se  Se8  1  0.116  0.884  0.384  1.0
  Se  Se9  1  0.884  0.384  0.116  1.0
  Se  Se10  1  0.384  0.116  0.884  1.0
  Se  Se11  1  0.616  0.616  0.616  1.0
[/CIF]
.
The structure described by CuTeSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. Cu(1) is bonded to three equivalent Te(1) and three equivalent Se(1) atoms to form CuTe3Se3 octahedra that share corners with twelve equivalent Cu(1)Te3Se3 octahedra, corners with three equivalent Te(1)Cu3Se tetrahedra, and corners with three equivalent Se(1)Cu3Te tetrahedra. The corner-sharing octahedral tilt angles are 64°. Te(1) is bonded to three equivalent Cu(1) and one Se(1) atom to form TeCu3Se tetrahedra that share corners with three equivalent Cu(1)Te3Se3 octahedra, corners with six equivalent Te(1)Cu3Se tetrahedra, and corners with nine equivalent Se(1)Cu3Te tetrahedra. The corner-sharing octahedral tilt angles are 79°. Se(1) is bonded to three equivalent Cu(1) and one Te(1) atom to form SeCu3Te tetrahedra that share corners with three equivalent Cu(1)Te3Se3 octahedra, corners with six equivalent Se(1)Cu3Te tetrahedra, and corners with nine equivalent Te(1)Cu3Se tetrahedra. The corner-sharing octahedral tilt angles are 78°. is represented by the CIF card [CIF]
data_CuTeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.400
_cell_length_b   6.400
_cell_length_c   6.400
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   262.186
_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
  Cu  Cu0  1  0.510  0.490  0.990  1.0
  Cu  Cu1  1  0.490  0.990  0.510  1.0
  Cu  Cu2  1  0.990  0.510  0.490  1.0
  Cu  Cu3  1  0.010  0.010  0.010  1.0
  Te  Te4  1  0.880  0.120  0.620  1.0
  Te  Te5  1  0.120  0.620  0.880  1.0
  Te  Te6  1  0.620  0.880  0.120  1.0
  Te  Te7  1  0.380  0.380  0.380  1.0
  Se  Se8  1  0.116  0.884  0.384  1.0
  Se  Se9  1  0.884  0.384  0.116  1.0
  Se  Se10  1  0.384  0.116  0.884  1.0
  Se  Se11  1  0.616  0.616  0.616  1.0
[/CIF]
.