The material structure described by GaAl(CuS2)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 S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(2)S4 tetrahedra, corners with four equivalent Ga(1)S4 tetrahedra, and corners with four equivalent Al(1)S4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Ga(1)S4 tetrahedra, and corners with four equivalent Al(1)S4 tetrahedra. Ga(1) is bonded to four equivalent S(1) atoms to form GaS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, and corners with four equivalent Al(1)S4 tetrahedra. Al(1) is bonded to four equivalent S(1) atoms to form AlS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, and corners with four equivalent Ga(1)S4 tetrahedra. S(1) is bonded to one Cu(1), one Cu(2), one Ga(1), and one Al(1) atom to form corner-sharing SAlGaCu2 tetrahedra. is represented by the CIF file [CIF]
data_AlGa(CuS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.361
_cell_length_b   5.361
_cell_length_c   6.492
_cell_angle_alpha   65.614
_cell_angle_beta   65.614
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   151.465
_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
  Al  Al0  1  0.500  0.500  0.000  1.0
  Ga  Ga1  1  0.250  0.750  0.500  1.0
  Cu  Cu2  1  0.750  0.250  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.376  0.871  0.753  1.0
  S  S5  1  0.871  0.377  0.753  1.0
  S  S6  1  0.129  0.129  0.247  1.0
  S  S7  1  0.623  0.624  0.247  1.0
[/CIF]
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The material structure described by GaAl(CuS2)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 S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(2)S4 tetrahedra, corners with four equivalent Ga(1)S4 tetrahedra, and corners with four equivalent Al(1)S4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Ga(1)S4 tetrahedra, and corners with four equivalent Al(1)S4 tetrahedra. Ga(1) is bonded to four equivalent S(1) atoms to form GaS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, and corners with four equivalent Al(1)S4 tetrahedra. Al(1) is bonded to four equivalent S(1) atoms to form AlS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, and corners with four equivalent Ga(1)S4 tetrahedra. S(1) is bonded to one Cu(1), one Cu(2), one Ga(1), and one Al(1) atom to form corner-sharing SAlGaCu2 tetrahedra. is represented by the CIF file [CIF]
data_AlGa(CuS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.361
_cell_length_b   5.361
_cell_length_c   6.492
_cell_angle_alpha   65.614
_cell_angle_beta   65.614
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   151.465
_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
  Al  Al0  1  0.500  0.500  0.000  1.0
  Ga  Ga1  1  0.250  0.750  0.500  1.0
  Cu  Cu2  1  0.750  0.250  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.376  0.871  0.753  1.0
  S  S5  1  0.871  0.377  0.753  1.0
  S  S6  1  0.129  0.129  0.247  1.0
  S  S7  1  0.623  0.624  0.247  1.0
[/CIF]
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