The material described by CuGa5Te8 crystallizes in the tetragonal P-42m space group. Cu(1) is bonded to four equivalent Te(2) atoms to form CuTe4 tetrahedra that share corners with eight equivalent Ga(1)Te4 tetrahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form GaTe4 tetrahedra that share corners with two equivalent Cu(1)Te4 tetrahedra, corners with two equivalent Ga(2)Te4 tetrahedra, and corners with four equivalent Ga(1)Te4 tetrahedra. In the second Ga site, Ga(2) is bonded to four equivalent Te(1) atoms to form corner-sharing GaTe4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a trigonal non-coplanar geometry to one Ga(2) and two equivalent Ga(1) atoms. In the second Te site, Te(2) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_Ga5CuTe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.937
_cell_length_b   5.937
_cell_length_c   12.064
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   425.172
_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  0.000  0.500  0.256  1.0
  Ga  Ga1  1  0.500  0.000  0.744  1.0
  Ga  Ga2  1  0.000  0.500  0.744  1.0
  Ga  Ga3  1  0.500  0.000  0.256  1.0
  Ga  Ga4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  Te  Te6  1  0.267  0.267  0.117  1.0
  Te  Te7  1  0.733  0.733  0.117  1.0
  Te  Te8  1  0.267  0.733  0.883  1.0
  Te  Te9  1  0.733  0.267  0.883  1.0
  Te  Te10  1  0.241  0.241  0.614  1.0
  Te  Te11  1  0.759  0.759  0.614  1.0
  Te  Te12  1  0.241  0.759  0.386  1.0
  Te  Te13  1  0.759  0.241  0.386  1.0
[/CIF]
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The material described by CuGa5Te8 crystallizes in the tetragonal P-42m space group. Cu(1) is bonded to four equivalent Te(2) atoms to form CuTe4 tetrahedra that share corners with eight equivalent Ga(1)Te4 tetrahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form GaTe4 tetrahedra that share corners with two equivalent Cu(1)Te4 tetrahedra, corners with two equivalent Ga(2)Te4 tetrahedra, and corners with four equivalent Ga(1)Te4 tetrahedra. In the second Ga site, Ga(2) is bonded to four equivalent Te(1) atoms to form corner-sharing GaTe4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a trigonal non-coplanar geometry to one Ga(2) and two equivalent Ga(1) atoms. In the second Te site, Te(2) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_Ga5CuTe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.937
_cell_length_b   5.937
_cell_length_c   12.064
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   425.172
_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  0.000  0.500  0.256  1.0
  Ga  Ga1  1  0.500  0.000  0.744  1.0
  Ga  Ga2  1  0.000  0.500  0.744  1.0
  Ga  Ga3  1  0.500  0.000  0.256  1.0
  Ga  Ga4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  Te  Te6  1  0.267  0.267  0.117  1.0
  Te  Te7  1  0.733  0.733  0.117  1.0
  Te  Te8  1  0.267  0.733  0.883  1.0
  Te  Te9  1  0.733  0.267  0.883  1.0
  Te  Te10  1  0.241  0.241  0.614  1.0
  Te  Te11  1  0.759  0.759  0.614  1.0
  Te  Te12  1  0.241  0.759  0.386  1.0
  Te  Te13  1  0.759  0.241  0.386  1.0
[/CIF]
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