The material structure described by CuGaO2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. Cu(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CuO4 tetrahedra that share corners with four equivalent Cu(1)O4 tetrahedra and corners with eight equivalent Ga(1)O4 tetrahedra. Ga(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form GaO4 tetrahedra that share corners with four equivalent Ga(1)O4 tetrahedra and corners with eight equivalent Cu(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Cu(1) and two equivalent Ga(1) atoms to form corner-sharing OGa2Cu2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Cu(1) and two equivalent Ga(1) atoms to form distorted corner-sharing OGa2Cu2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_GaCuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.370
_cell_length_b   5.513
_cell_length_c   6.660
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   197.184
_cell_formula_units_Z   4
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  0.002  0.580  0.376  1.0
  Ga  Ga1  1  0.502  0.420  0.624  1.0
  Ga  Ga2  1  0.502  0.920  0.876  1.0
  Ga  Ga3  1  0.002  0.080  0.124  1.0
  Cu  Cu4  1  0.504  0.944  0.368  1.0
  Cu  Cu5  1  0.004  0.056  0.632  1.0
  Cu  Cu6  1  0.004  0.556  0.868  1.0
  Cu  Cu7  1  0.504  0.444  0.132  1.0
  O  O8  1  0.905  0.907  0.356  1.0
  O  O9  1  0.405  0.093  0.644  1.0
  O  O10  1  0.405  0.593  0.856  1.0
  O  O11  1  0.905  0.407  0.144  1.0
  O  O12  1  0.852  0.942  0.897  1.0
  O  O13  1  0.352  0.058  0.103  1.0
  O  O14  1  0.352  0.558  0.397  1.0
  O  O15  1  0.852  0.442  0.603  1.0
[/CIF]
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The material structure described by CuGaO2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. Cu(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CuO4 tetrahedra that share corners with four equivalent Cu(1)O4 tetrahedra and corners with eight equivalent Ga(1)O4 tetrahedra. Ga(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form GaO4 tetrahedra that share corners with four equivalent Ga(1)O4 tetrahedra and corners with eight equivalent Cu(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Cu(1) and two equivalent Ga(1) atoms to form corner-sharing OGa2Cu2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Cu(1) and two equivalent Ga(1) atoms to form distorted corner-sharing OGa2Cu2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_GaCuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.370
_cell_length_b   5.513
_cell_length_c   6.660
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   197.184
_cell_formula_units_Z   4
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  0.002  0.580  0.376  1.0
  Ga  Ga1  1  0.502  0.420  0.624  1.0
  Ga  Ga2  1  0.502  0.920  0.876  1.0
  Ga  Ga3  1  0.002  0.080  0.124  1.0
  Cu  Cu4  1  0.504  0.944  0.368  1.0
  Cu  Cu5  1  0.004  0.056  0.632  1.0
  Cu  Cu6  1  0.004  0.556  0.868  1.0
  Cu  Cu7  1  0.504  0.444  0.132  1.0
  O  O8  1  0.905  0.907  0.356  1.0
  O  O9  1  0.405  0.093  0.644  1.0
  O  O10  1  0.405  0.593  0.856  1.0
  O  O11  1  0.905  0.407  0.144  1.0
  O  O12  1  0.852  0.942  0.897  1.0
  O  O13  1  0.352  0.058  0.103  1.0
  O  O14  1  0.352  0.558  0.397  1.0
  O  O15  1  0.852  0.442  0.603  1.0
[/CIF]
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