The crystal structure described by CuGaTe2 is Enargite-like 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 Ga(1)Te4 tetrahedra. Ga(1) is bonded to one Te(2) and three equivalent Te(1) atoms to form GaTe4 tetrahedra that share corners with six equivalent Cu(1)Te4 tetrahedra and corners with six equivalent Ga(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 Ga(1) atoms to form TeGa3Cu tetrahedra that share corners with six equivalent Te(1)Ga3Cu tetrahedra and corners with six equivalent Te(2)GaCu3 tetrahedra. In the second Te site, Te(2) is bonded to three equivalent Cu(1) and one Ga(1) atom to form TeGaCu3 tetrahedra that share corners with six equivalent Te(1)Ga3Cu tetrahedra and corners with six equivalent Te(2)GaCu3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_GaCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.441
_cell_length_b   7.441
_cell_length_c   7.441
_cell_angle_alpha   33.797
_cell_angle_beta   33.797
_cell_angle_gamma   33.797
_symmetry_Int_Tables_number   1
_cell_volume   113.577
_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
  Ga  Ga0  1  0.507  0.507  0.507  1.0
  Cu  Cu1  1  0.994  0.994  0.994  1.0
  Te  Te2  1  0.118  0.118  0.118  1.0
  Te  Te3  1  0.631  0.631  0.631  1.0
[/CIF]
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The crystal structure described by CuGaTe2 is Enargite-like 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 Ga(1)Te4 tetrahedra. Ga(1) is bonded to one Te(2) and three equivalent Te(1) atoms to form GaTe4 tetrahedra that share corners with six equivalent Cu(1)Te4 tetrahedra and corners with six equivalent Ga(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 Ga(1) atoms to form TeGa3Cu tetrahedra that share corners with six equivalent Te(1)Ga3Cu tetrahedra and corners with six equivalent Te(2)GaCu3 tetrahedra. In the second Te site, Te(2) is bonded to three equivalent Cu(1) and one Ga(1) atom to form TeGaCu3 tetrahedra that share corners with six equivalent Te(1)Ga3Cu tetrahedra and corners with six equivalent Te(2)GaCu3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_GaCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.441
_cell_length_b   7.441
_cell_length_c   7.441
_cell_angle_alpha   33.797
_cell_angle_beta   33.797
_cell_angle_gamma   33.797
_symmetry_Int_Tables_number   1
_cell_volume   113.577
_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
  Ga  Ga0  1  0.507  0.507  0.507  1.0
  Cu  Cu1  1  0.994  0.994  0.994  1.0
  Te  Te2  1  0.118  0.118  0.118  1.0
  Te  Te3  1  0.631  0.631  0.631  1.0
[/CIF]
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