The structure described by Ga2O3 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the second Ga site, Ga(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of edge and corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to two equivalent Ga(1) and two equivalent Ga(2) atoms. In the second O site, O(2) is bonded to two equivalent Ga(1) and two equivalent Ga(2) atoms to form corner-sharing OGa4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ga2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.904
_cell_length_b   4.904
_cell_length_c   7.284
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.578
_symmetry_Int_Tables_number   1
_cell_volume   96.498
_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  0.248  0.752  0.250  1.0
  Ga  Ga1  1  0.752  0.248  0.750  1.0
  Ga  Ga2  1  0.000  0.000  0.500  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.363  0.637  0.925  1.0
  O  O5  1  0.637  0.363  0.075  1.0
  O  O6  1  0.637  0.363  0.425  1.0
  O  O7  1  0.363  0.637  0.575  1.0
  O  O8  1  0.107  0.893  0.750  1.0
  O  O9  1  0.893  0.107  0.250  1.0
[/CIF]
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The structure described by Ga2O3 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the second Ga site, Ga(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of edge and corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to two equivalent Ga(1) and two equivalent Ga(2) atoms. In the second O site, O(2) is bonded to two equivalent Ga(1) and two equivalent Ga(2) atoms to form corner-sharing OGa4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ga2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.904
_cell_length_b   4.904
_cell_length_c   7.284
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.578
_symmetry_Int_Tables_number   1
_cell_volume   96.498
_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  0.248  0.752  0.250  1.0
  Ga  Ga1  1  0.752  0.248  0.750  1.0
  Ga  Ga2  1  0.000  0.000  0.500  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.363  0.637  0.925  1.0
  O  O5  1  0.637  0.363  0.075  1.0
  O  O6  1  0.637  0.363  0.425  1.0
  O  O7  1  0.363  0.637  0.575  1.0
  O  O8  1  0.107  0.893  0.750  1.0
  O  O9  1  0.893  0.107  0.250  1.0
[/CIF]
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