The structure described by InGa(CuSe2)2 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Cu(2)Se4 tetrahedra, corners with four equivalent In(1)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent In(1)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cu(2)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. Ga(1) is bonded to four equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cu(2)Se4 tetrahedra, and corners with four equivalent In(1)Se4 tetrahedra. Se(1) is bonded to one Cu(1), one Cu(2), one In(1), and one Ga(1) atom to form corner-sharing SeInGaCu2 tetrahedra. is represented by the CIF card [CIF]
data_InGa(CuSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.032
_cell_length_b   7.032
_cell_length_c   7.032
_cell_angle_alpha   131.594
_cell_angle_beta   131.594
_cell_angle_gamma   70.870
_symmetry_Int_Tables_number   1
_cell_volume   190.460
_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  0.000  1.0
  Ga  Ga1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Se  Se4  1  0.104  0.101  0.468  1.0
  Se  Se5  1  0.633  0.636  0.532  1.0
  Se  Se6  1  0.364  0.896  0.997  1.0
  Se  Se7  1  0.899  0.367  0.003  1.0
[/CIF]
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The structure described by InGa(CuSe2)2 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Cu(2)Se4 tetrahedra, corners with four equivalent In(1)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent In(1)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cu(2)Se4 tetrahedra, and corners with four equivalent Ga(1)Se4 tetrahedra. Ga(1) is bonded to four equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Cu(2)Se4 tetrahedra, and corners with four equivalent In(1)Se4 tetrahedra. Se(1) is bonded to one Cu(1), one Cu(2), one In(1), and one Ga(1) atom to form corner-sharing SeInGaCu2 tetrahedra. is represented by the CIF card [CIF]
data_InGa(CuSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.032
_cell_length_b   7.032
_cell_length_c   7.032
_cell_angle_alpha   131.594
_cell_angle_beta   131.594
_cell_angle_gamma   70.870
_symmetry_Int_Tables_number   1
_cell_volume   190.460
_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  0.000  1.0
  Ga  Ga1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Se  Se4  1  0.104  0.101  0.468  1.0
  Se  Se5  1  0.633  0.636  0.532  1.0
  Se  Se6  1  0.364  0.896  0.997  1.0
  Se  Se7  1  0.899  0.367  0.003  1.0
[/CIF]
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