The material described by CuInTe2 is Theoretical Carbon Structure-derived structured and crystallizes in the trigonal R3m space group. Cu(1) is bonded to one Te(1) and three equivalent Te(2) atoms to form CuTe4 tetrahedra that share corners with six equivalent Cu(1)Te4 tetrahedra and corners with six equivalent In(1)Te4 tetrahedra. In(1) is bonded to one Te(2) and three equivalent Te(1) atoms to form InTe4 tetrahedra that share corners with six equivalent Cu(1)Te4 tetrahedra and corners with six equivalent In(1)Te4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Cu(1) and three equivalent In(1) atoms to form TeIn3Cu tetrahedra that share corners with six equivalent Te(1)In3Cu tetrahedra and corners with six equivalent Te(2)InCu3 tetrahedra. In the second Te site, Te(2) is bonded to three equivalent Cu(1) and one In(1) atom to form TeInCu3 tetrahedra that share corners with six equivalent Te(1)In3Cu tetrahedra and corners with six equivalent Te(2)InCu3 tetrahedra. is represented by the CIF card [CIF]
data_InCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.438
_cell_length_b   4.438
_cell_length_c   7.731
_cell_angle_alpha   73.320
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   124.428
_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  0.491  0.983  0.526  1.0
  Cu  Cu1  1  0.007  0.015  0.978  1.0
  Te  Te2  1  0.886  0.773  0.341  1.0
  Te  Te3  1  0.365  0.730  0.905  1.0
[/CIF]
.
The material described by CuInTe2 is Theoretical Carbon Structure-derived structured and crystallizes in the trigonal R3m space group. Cu(1) is bonded to one Te(1) and three equivalent Te(2) atoms to form CuTe4 tetrahedra that share corners with six equivalent Cu(1)Te4 tetrahedra and corners with six equivalent In(1)Te4 tetrahedra. In(1) is bonded to one Te(2) and three equivalent Te(1) atoms to form InTe4 tetrahedra that share corners with six equivalent Cu(1)Te4 tetrahedra and corners with six equivalent In(1)Te4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Cu(1) and three equivalent In(1) atoms to form TeIn3Cu tetrahedra that share corners with six equivalent Te(1)In3Cu tetrahedra and corners with six equivalent Te(2)InCu3 tetrahedra. In the second Te site, Te(2) is bonded to three equivalent Cu(1) and one In(1) atom to form TeInCu3 tetrahedra that share corners with six equivalent Te(1)In3Cu tetrahedra and corners with six equivalent Te(2)InCu3 tetrahedra. is represented by the CIF card [CIF]
data_InCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.438
_cell_length_b   4.438
_cell_length_c   7.731
_cell_angle_alpha   73.320
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   124.428
_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  0.491  0.983  0.526  1.0
  Cu  Cu1  1  0.007  0.015  0.978  1.0
  Te  Te2  1  0.886  0.773  0.341  1.0
  Te  Te3  1  0.365  0.730  0.905  1.0
[/CIF]
.