The structure described by CuInTe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Cu(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form CuTe6 octahedra that share corners with six equivalent Cu(1)Te6 octahedra, edges with four equivalent Cu(1)Te6 octahedra, and edges with eight equivalent In(1)Te6 octahedra. The corner-sharing octahedra are not tilted. In(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form InTe6 octahedra that share corners with six equivalent In(1)Te6 octahedra, edges with four equivalent In(1)Te6 octahedra, and edges with eight equivalent Cu(1)Te6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Cu(1) and four equivalent In(1) atoms to form TeIn4Cu2 octahedra that share corners with six equivalent Te(1)In4Cu2 octahedra, edges with four equivalent Te(1)In4Cu2 octahedra, and edges with eight equivalent Te(2)In2Cu4 octahedra. The corner-sharing octahedra are not tilted. In the second Te site, Te(2) is bonded to four equivalent Cu(1) and two equivalent In(1) atoms to form TeIn2Cu4 octahedra that share corners with six equivalent Te(2)In2Cu4 octahedra, edges with four equivalent Te(2)In2Cu4 octahedra, and edges with eight equivalent Te(1)In4Cu2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_InCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.199
_cell_length_b   4.199
_cell_length_c   5.871
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   103.517
_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
  In  In0  1  0.500  0.500  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  Te  Te2  1  0.000  0.000  0.500  1.0
  Te  Te3  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by CuInTe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Cu(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form CuTe6 octahedra that share corners with six equivalent Cu(1)Te6 octahedra, edges with four equivalent Cu(1)Te6 octahedra, and edges with eight equivalent In(1)Te6 octahedra. The corner-sharing octahedra are not tilted. In(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form InTe6 octahedra that share corners with six equivalent In(1)Te6 octahedra, edges with four equivalent In(1)Te6 octahedra, and edges with eight equivalent Cu(1)Te6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Cu(1) and four equivalent In(1) atoms to form TeIn4Cu2 octahedra that share corners with six equivalent Te(1)In4Cu2 octahedra, edges with four equivalent Te(1)In4Cu2 octahedra, and edges with eight equivalent Te(2)In2Cu4 octahedra. The corner-sharing octahedra are not tilted. In the second Te site, Te(2) is bonded to four equivalent Cu(1) and two equivalent In(1) atoms to form TeIn2Cu4 octahedra that share corners with six equivalent Te(2)In2Cu4 octahedra, edges with four equivalent Te(2)In2Cu4 octahedra, and edges with eight equivalent Te(1)In4Cu2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_InCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.199
_cell_length_b   4.199
_cell_length_c   5.871
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   103.517
_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
  In  In0  1  0.500  0.500  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  Te  Te2  1  0.000  0.000  0.500  1.0
  Te  Te3  1  0.500  0.500  0.000  1.0
[/CIF]
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