The material structure described by Cu3Ga3(Te2Se)2 is Stannite-like structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Te(2), one Te(3), one Se(1), and one Se(3) atom to form CuTe2Se2 tetrahedra that share corners with two equivalent Cu(1)Te2Se2 tetrahedra, corners with two equivalent Cu(2)Te3Se tetrahedra, corners with two equivalent Ga(2)Te3Se tetrahedra, and corners with six equivalent Ga(1)Te2Se2 tetrahedra. In the second Cu site, Cu(2) is bonded to one Te(1), one Te(2), one Te(3), and one Se(2) atom to form CuTe3Se tetrahedra that share corners with two equivalent Cu(1)Te2Se2 tetrahedra, corners with two equivalent Cu(3)Te3Se tetrahedra, corners with two equivalent Ga(1)Te2Se2 tetrahedra, corners with two equivalent Ga(3)Te3Se tetrahedra, and corners with four equivalent Ga(2)Te3Se tetrahedra. In the third Cu site, Cu(3) is bonded to one Te(1), two equivalent Te(4), and one Se(2) atom to form CuTe3Se tetrahedra that share corners with two equivalent Cu(2)Te3Se tetrahedra, corners with two equivalent Cu(3)Te3Se tetrahedra, corners with two equivalent Ga(2)Te3Se tetrahedra, and corners with six equivalent Ga(3)Te3Se tetrahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one Te(2), one Te(3), one Se(1), and one Se(3) atom to form GaTe2Se2 tetrahedra that share corners with two equivalent Cu(2)Te3Se tetrahedra, corners with two equivalent Ga(1)Te2Se2 tetrahedra, corners with two equivalent Ga(2)Te3Se tetrahedra, and corners with six equivalent Cu(1)Te2Se2 tetrahedra. In the second Ga site, Ga(2) is bonded to one Te(1), one Te(2), one Te(3), and one Se(2) atom to form GaTe3Se tetrahedra that share corners with two equivalent Cu(1)Te2Se2 tetrahedra, corners with two equivalent Cu(3)Te3Se tetrahedra, corners with two equivalent Ga(1)Te2Se2 tetrahedra, corners with two equivalent Ga(3)Te3Se tetrahedra, and corners with four equivalent Cu(2)Te3Se tetrahedra. In the third Ga site, Ga(3) is bonded to one Te(1), two equivalent Te(4), and one Se(2) atom to form GaTe3Se tetrahedra that share corners with two equivalent Cu(2)Te3Se tetrahedra, corners with two equivalent Ga(2)Te3Se tetrahedra, corners with two equivalent Ga(3)Te3Se tetrahedra, and corners with six equivalent Cu(3)Te3Se tetrahedra. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to one Cu(2), one Cu(3), one Ga(2), and one Ga(3) atom to form TeGa2Cu2 tetrahedra that share corners with two equivalent Te(2)Ga2Cu2 tetrahedra, corners with two equivalent Te(3)Ga2Cu2 tetrahedra, corners with four equivalent Te(4)Ga2Cu2 tetrahedra, and corners with four equivalent Se(2)Ga2Cu2 tetrahedra. In the second Te site, Te(2) is bonded to one Cu(1), one Cu(2), one Ga(1), and one Ga(2) atom to form TeGa2Cu2 tetrahedra that share corners with two equivalent Te(1)Ga2Cu2 tetrahedra, corners with two equivalent Se(1)Ga2Cu2 tetrahedra, corners with two equivalent Se(2)Ga2Cu2 tetrahedra, corners with two equivalent Se(3)Ga2Cu2 tetrahedra, and corners with four equivalent Te(3)Ga2Cu2 tetrahedra. In the third Te site, Te(3) is bonded to one Cu(1), one Cu(2), one Ga(1), and one Ga(2) atom to form TeGa2Cu2 tetrahedra that share corners with two equivalent Te(1)Ga2Cu2 tetrahedra, corners with two equivalent Se(1)Ga2Cu2 tetrahedra, corners with two equivalent Se(2)Ga2Cu2 tetrahedra, corners with two equivalent Se(3)Ga2Cu2 tetrahedra, and corners with four equivalent Te(2)Ga2Cu2 tetrahedra. In the fourth Te site, Te(4) is bonded to two equivalent Cu(3) and two equivalent Ga(3) atoms to form TeGa2Cu2 tetrahedra that share corners with four equivalent Te(1)Ga2Cu2 tetrahedra, corners with four equivalent Te(4)Ga2Cu2 tetrahedra, and corners with four equivalent Se(2)Ga2Cu2 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Cu(1) and two equivalent Ga(1) atoms to form SeGa2Cu2 tetrahedra that share corners with four equivalent Te(2)Ga2Cu2 tetrahedra, corners with four equivalent Te(3)Ga2Cu2 tetrahedra, and corners with four equivalent Se(3)Ga2Cu2 tetrahedra. In the second Se site, Se(2) is bonded to one Cu(2), one Cu(3), one Ga(2), and one Ga(3) atom to form SeGa2Cu2 tetrahedra that share corners with two equivalent Te(2)Ga2Cu2 tetrahedra, corners with two equivalent Te(3)Ga2Cu2 tetrahedra, corners with four equivalent Te(1)Ga2Cu2 tetrahedra, and corners with four equivalent Te(4)Ga2Cu2 tetrahedra. In the third Se site, Se(3) is bonded to two equivalent Cu(1) and two equivalent Ga(1) atoms to form SeGa2Cu2 tetrahedra that share corners with four equivalent Te(2)Ga2Cu2 tetrahedra, corners with four equivalent Te(3)Ga2Cu2 tetrahedra, and corners with four equivalent Se(1)Ga2Cu2 tetrahedra. is represented by the CIF file [CIF]
data_Ga3Cu3(Te2Se)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.262
_cell_length_b   18.262
_cell_length_c   5.959
_cell_angle_alpha   80.704
_cell_angle_beta   80.704
_cell_angle_gamma   18.809
_symmetry_Int_Tables_number   1
_cell_volume   632.175
_cell_formula_units_Z   2
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  0.085  0.838  0.290  1.0
  Ga  Ga1  1  0.741  0.511  0.634  1.0
  Ga  Ga2  1  0.406  0.180  0.968  1.0
  Ga  Ga3  1  0.162  0.915  0.710  1.0
  Ga  Ga4  1  0.820  0.594  0.032  1.0
  Ga  Ga5  1  0.489  0.259  0.366  1.0
  Cu  Cu6  1  0.588  0.335  0.788  1.0
  Cu  Cu7  1  0.262  0.991  0.114  1.0
  Cu  Cu8  1  0.929  0.658  0.445  1.0
  Cu  Cu9  1  0.009  0.738  0.886  1.0
  Cu  Cu10  1  0.665  0.412  0.212  1.0
  Cu  Cu11  1  0.342  0.071  0.555  1.0
  Te  Te12  1  0.052  0.281  0.333  1.0
  Te  Te13  1  0.719  0.948  0.667  1.0
  Te  Te14  1  0.793  0.043  0.068  1.0
  Te  Te15  1  0.457  0.707  0.406  1.0
  Te  Te16  1  0.125  0.375  0.737  1.0
  Te  Te17  1  0.293  0.543  0.594  1.0
  Te  Te18  1  0.957  0.207  0.932  1.0
  Te  Te19  1  0.625  0.875  0.263  1.0
  Se  Se20  1  0.871  0.129  0.500  1.0
  Se  Se21  1  0.533  0.799  0.834  1.0
  Se  Se22  1  0.201  0.467  0.166  1.0
  Se  Se23  1  0.377  0.623  0.000  1.0
[/CIF]
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The material structure described by Cu3Ga3(Te2Se)2 is Stannite-like structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Te(2), one Te(3), one Se(1), and one Se(3) atom to form CuTe2Se2 tetrahedra that share corners with two equivalent Cu(1)Te2Se2 tetrahedra, corners with two equivalent Cu(2)Te3Se tetrahedra, corners with two equivalent Ga(2)Te3Se tetrahedra, and corners with six equivalent Ga(1)Te2Se2 tetrahedra. In the second Cu site, Cu(2) is bonded to one Te(1), one Te(2), one Te(3), and one Se(2) atom to form CuTe3Se tetrahedra that share corners with two equivalent Cu(1)Te2Se2 tetrahedra, corners with two equivalent Cu(3)Te3Se tetrahedra, corners with two equivalent Ga(1)Te2Se2 tetrahedra, corners with two equivalent Ga(3)Te3Se tetrahedra, and corners with four equivalent Ga(2)Te3Se tetrahedra. In the third Cu site, Cu(3) is bonded to one Te(1), two equivalent Te(4), and one Se(2) atom to form CuTe3Se tetrahedra that share corners with two equivalent Cu(2)Te3Se tetrahedra, corners with two equivalent Cu(3)Te3Se tetrahedra, corners with two equivalent Ga(2)Te3Se tetrahedra, and corners with six equivalent Ga(3)Te3Se tetrahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one Te(2), one Te(3), one Se(1), and one Se(3) atom to form GaTe2Se2 tetrahedra that share corners with two equivalent Cu(2)Te3Se tetrahedra, corners with two equivalent Ga(1)Te2Se2 tetrahedra, corners with two equivalent Ga(2)Te3Se tetrahedra, and corners with six equivalent Cu(1)Te2Se2 tetrahedra. In the second Ga site, Ga(2) is bonded to one Te(1), one Te(2), one Te(3), and one Se(2) atom to form GaTe3Se tetrahedra that share corners with two equivalent Cu(1)Te2Se2 tetrahedra, corners with two equivalent Cu(3)Te3Se tetrahedra, corners with two equivalent Ga(1)Te2Se2 tetrahedra, corners with two equivalent Ga(3)Te3Se tetrahedra, and corners with four equivalent Cu(2)Te3Se tetrahedra. In the third Ga site, Ga(3) is bonded to one Te(1), two equivalent Te(4), and one Se(2) atom to form GaTe3Se tetrahedra that share corners with two equivalent Cu(2)Te3Se tetrahedra, corners with two equivalent Ga(2)Te3Se tetrahedra, corners with two equivalent Ga(3)Te3Se tetrahedra, and corners with six equivalent Cu(3)Te3Se tetrahedra. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to one Cu(2), one Cu(3), one Ga(2), and one Ga(3) atom to form TeGa2Cu2 tetrahedra that share corners with two equivalent Te(2)Ga2Cu2 tetrahedra, corners with two equivalent Te(3)Ga2Cu2 tetrahedra, corners with four equivalent Te(4)Ga2Cu2 tetrahedra, and corners with four equivalent Se(2)Ga2Cu2 tetrahedra. In the second Te site, Te(2) is bonded to one Cu(1), one Cu(2), one Ga(1), and one Ga(2) atom to form TeGa2Cu2 tetrahedra that share corners with two equivalent Te(1)Ga2Cu2 tetrahedra, corners with two equivalent Se(1)Ga2Cu2 tetrahedra, corners with two equivalent Se(2)Ga2Cu2 tetrahedra, corners with two equivalent Se(3)Ga2Cu2 tetrahedra, and corners with four equivalent Te(3)Ga2Cu2 tetrahedra. In the third Te site, Te(3) is bonded to one Cu(1), one Cu(2), one Ga(1), and one Ga(2) atom to form TeGa2Cu2 tetrahedra that share corners with two equivalent Te(1)Ga2Cu2 tetrahedra, corners with two equivalent Se(1)Ga2Cu2 tetrahedra, corners with two equivalent Se(2)Ga2Cu2 tetrahedra, corners with two equivalent Se(3)Ga2Cu2 tetrahedra, and corners with four equivalent Te(2)Ga2Cu2 tetrahedra. In the fourth Te site, Te(4) is bonded to two equivalent Cu(3) and two equivalent Ga(3) atoms to form TeGa2Cu2 tetrahedra that share corners with four equivalent Te(1)Ga2Cu2 tetrahedra, corners with four equivalent Te(4)Ga2Cu2 tetrahedra, and corners with four equivalent Se(2)Ga2Cu2 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Cu(1) and two equivalent Ga(1) atoms to form SeGa2Cu2 tetrahedra that share corners with four equivalent Te(2)Ga2Cu2 tetrahedra, corners with four equivalent Te(3)Ga2Cu2 tetrahedra, and corners with four equivalent Se(3)Ga2Cu2 tetrahedra. In the second Se site, Se(2) is bonded to one Cu(2), one Cu(3), one Ga(2), and one Ga(3) atom to form SeGa2Cu2 tetrahedra that share corners with two equivalent Te(2)Ga2Cu2 tetrahedra, corners with two equivalent Te(3)Ga2Cu2 tetrahedra, corners with four equivalent Te(1)Ga2Cu2 tetrahedra, and corners with four equivalent Te(4)Ga2Cu2 tetrahedra. In the third Se site, Se(3) is bonded to two equivalent Cu(1) and two equivalent Ga(1) atoms to form SeGa2Cu2 tetrahedra that share corners with four equivalent Te(2)Ga2Cu2 tetrahedra, corners with four equivalent Te(3)Ga2Cu2 tetrahedra, and corners with four equivalent Se(1)Ga2Cu2 tetrahedra. is represented by the CIF file [CIF]
data_Ga3Cu3(Te2Se)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.262
_cell_length_b   18.262
_cell_length_c   5.959
_cell_angle_alpha   80.704
_cell_angle_beta   80.704
_cell_angle_gamma   18.809
_symmetry_Int_Tables_number   1
_cell_volume   632.175
_cell_formula_units_Z   2
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  0.085  0.838  0.290  1.0
  Ga  Ga1  1  0.741  0.511  0.634  1.0
  Ga  Ga2  1  0.406  0.180  0.968  1.0
  Ga  Ga3  1  0.162  0.915  0.710  1.0
  Ga  Ga4  1  0.820  0.594  0.032  1.0
  Ga  Ga5  1  0.489  0.259  0.366  1.0
  Cu  Cu6  1  0.588  0.335  0.788  1.0
  Cu  Cu7  1  0.262  0.991  0.114  1.0
  Cu  Cu8  1  0.929  0.658  0.445  1.0
  Cu  Cu9  1  0.009  0.738  0.886  1.0
  Cu  Cu10  1  0.665  0.412  0.212  1.0
  Cu  Cu11  1  0.342  0.071  0.555  1.0
  Te  Te12  1  0.052  0.281  0.333  1.0
  Te  Te13  1  0.719  0.948  0.667  1.0
  Te  Te14  1  0.793  0.043  0.068  1.0
  Te  Te15  1  0.457  0.707  0.406  1.0
  Te  Te16  1  0.125  0.375  0.737  1.0
  Te  Te17  1  0.293  0.543  0.594  1.0
  Te  Te18  1  0.957  0.207  0.932  1.0
  Te  Te19  1  0.625  0.875  0.263  1.0
  Se  Se20  1  0.871  0.129  0.500  1.0
  Se  Se21  1  0.533  0.799  0.834  1.0
  Se  Se22  1  0.201  0.467  0.166  1.0
  Se  Se23  1  0.377  0.623  0.000  1.0
[/CIF]
.