The material structure described by Ga2O3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form GaO6 octahedra that share corners with seven equivalent Ga(2)O4 tetrahedra and edges with four equivalent Ga(1)O6 octahedra. In the second Ga site, Ga(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form GaO4 tetrahedra that share corners with seven equivalent Ga(1)O6 octahedra and corners with two equivalent Ga(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-64°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ga(1) and two equivalent Ga(2) atoms. In the second O site, O(2) is bonded to one Ga(2) and three equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing OGa4 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ga(2) and two equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_Ga2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.048
_cell_length_b   5.817
_cell_length_c   6.326
_cell_angle_alpha   103.352
_cell_angle_beta   103.937
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   105.734
_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  0.659  0.315  0.318  1.0
  Ga  Ga1  1  0.341  0.685  0.682  1.0
  Ga  Ga2  1  0.090  0.795  0.181  1.0
  Ga  Ga3  1  0.910  0.205  0.819  1.0
  O  O4  1  0.496  0.257  0.993  1.0
  O  O5  1  0.504  0.743  0.007  1.0
  O  O6  1  0.173  0.563  0.347  1.0
  O  O7  1  0.827  0.437  0.653  1.0
  O  O8  1  0.835  0.891  0.671  1.0
  O  O9  1  0.165  0.109  0.329  1.0
[/CIF]
.
The material structure described by Ga2O3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form GaO6 octahedra that share corners with seven equivalent Ga(2)O4 tetrahedra and edges with four equivalent Ga(1)O6 octahedra. In the second Ga site, Ga(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form GaO4 tetrahedra that share corners with seven equivalent Ga(1)O6 octahedra and corners with two equivalent Ga(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-64°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ga(1) and two equivalent Ga(2) atoms. In the second O site, O(2) is bonded to one Ga(2) and three equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing OGa4 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ga(2) and two equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_Ga2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.048
_cell_length_b   5.817
_cell_length_c   6.326
_cell_angle_alpha   103.352
_cell_angle_beta   103.937
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   105.734
_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  0.659  0.315  0.318  1.0
  Ga  Ga1  1  0.341  0.685  0.682  1.0
  Ga  Ga2  1  0.090  0.795  0.181  1.0
  Ga  Ga3  1  0.910  0.205  0.819  1.0
  O  O4  1  0.496  0.257  0.993  1.0
  O  O5  1  0.504  0.743  0.007  1.0
  O  O6  1  0.173  0.563  0.347  1.0
  O  O7  1  0.827  0.437  0.653  1.0
  O  O8  1  0.835  0.891  0.671  1.0
  O  O9  1  0.165  0.109  0.329  1.0
[/CIF]
.