The compound described by CuTe2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. Cu(1) is bonded to six equivalent Te(1) atoms to form CuTe6 octahedra that share corners with twelve equivalent Cu(1)Te6 octahedra and corners with six equivalent Te(1)Cu3Te tetrahedra. The corner-sharing octahedral tilt angles are 64°. Te(1) is bonded to three equivalent Cu(1) and one Te(1) atom to form distorted TeCu3Te tetrahedra that share corners with three equivalent Cu(1)Te6 octahedra and corners with fifteen equivalent Te(1)Cu3Te tetrahedra. The corner-sharing octahedral tilt angles are 79°. is represented by the CIF file [CIF]
data_CuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.638
_cell_length_b   6.638
_cell_length_c   6.638
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   292.527
_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  0.500  0.500  0.000  1.0
  Cu  Cu1  1  0.500  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Te  Te4  1  0.120  0.880  0.380  1.0
  Te  Te5  1  0.880  0.380  0.120  1.0
  Te  Te6  1  0.380  0.120  0.880  1.0
  Te  Te7  1  0.620  0.620  0.620  1.0
  Te  Te8  1  0.880  0.120  0.620  1.0
  Te  Te9  1  0.120  0.620  0.880  1.0
  Te  Te10  1  0.620  0.880  0.120  1.0
  Te  Te11  1  0.380  0.380  0.380  1.0
[/CIF]
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The compound described by CuTe2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. Cu(1) is bonded to six equivalent Te(1) atoms to form CuTe6 octahedra that share corners with twelve equivalent Cu(1)Te6 octahedra and corners with six equivalent Te(1)Cu3Te tetrahedra. The corner-sharing octahedral tilt angles are 64°. Te(1) is bonded to three equivalent Cu(1) and one Te(1) atom to form distorted TeCu3Te tetrahedra that share corners with three equivalent Cu(1)Te6 octahedra and corners with fifteen equivalent Te(1)Cu3Te tetrahedra. The corner-sharing octahedral tilt angles are 79°. is represented by the CIF file [CIF]
data_CuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.638
_cell_length_b   6.638
_cell_length_c   6.638
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   292.527
_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  0.500  0.500  0.000  1.0
  Cu  Cu1  1  0.500  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Te  Te4  1  0.120  0.880  0.380  1.0
  Te  Te5  1  0.880  0.380  0.120  1.0
  Te  Te6  1  0.380  0.120  0.880  1.0
  Te  Te7  1  0.620  0.620  0.620  1.0
  Te  Te8  1  0.880  0.120  0.620  1.0
  Te  Te9  1  0.120  0.620  0.880  1.0
  Te  Te10  1  0.620  0.880  0.120  1.0
  Te  Te11  1  0.380  0.380  0.380  1.0
[/CIF]
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