The compound described by CuGa2(SO)2 crystallizes in the tetragonal I4/mmm space group. Cu(1) is bonded to two equivalent S(1) and four equivalent O(1) atoms to form CuS2O4 octahedra that share corners with four equivalent Cu(1)S2O4 octahedra and corners with eight equivalent Ga(1)S4 tetrahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded to four equivalent S(1) atoms to form GaS4 tetrahedra that share corners with four equivalent Cu(1)S2O4 octahedra, corners with four equivalent Ga(1)S4 tetrahedra, and edges with four equivalent Ga(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. S(1) is bonded in a 5-coordinate geometry to one Cu(1) and four equivalent Ga(1) atoms. O(1) is bonded in a linear geometry to two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Ga2Cu(SO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.049
_cell_length_b   8.049
_cell_length_c   8.049
_cell_angle_alpha   150.790
_cell_angle_beta   150.790
_cell_angle_gamma   41.783
_symmetry_Int_Tables_number   1
_cell_volume   123.882
_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  0.250  0.750  0.500  1.0
  Ga  Ga1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.837  0.837  0.000  1.0
  S  S4  1  0.163  0.163  0.000  1.0
  O  O5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.500  0.000  0.500  1.0
[/CIF]
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The compound described by CuGa2(SO)2 crystallizes in the tetragonal I4/mmm space group. Cu(1) is bonded to two equivalent S(1) and four equivalent O(1) atoms to form CuS2O4 octahedra that share corners with four equivalent Cu(1)S2O4 octahedra and corners with eight equivalent Ga(1)S4 tetrahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded to four equivalent S(1) atoms to form GaS4 tetrahedra that share corners with four equivalent Cu(1)S2O4 octahedra, corners with four equivalent Ga(1)S4 tetrahedra, and edges with four equivalent Ga(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. S(1) is bonded in a 5-coordinate geometry to one Cu(1) and four equivalent Ga(1) atoms. O(1) is bonded in a linear geometry to two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Ga2Cu(SO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.049
_cell_length_b   8.049
_cell_length_c   8.049
_cell_angle_alpha   150.790
_cell_angle_beta   150.790
_cell_angle_gamma   41.783
_symmetry_Int_Tables_number   1
_cell_volume   123.882
_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  0.250  0.750  0.500  1.0
  Ga  Ga1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.837  0.837  0.000  1.0
  S  S4  1  0.163  0.163  0.000  1.0
  O  O5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.500  0.000  0.500  1.0
[/CIF]
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