The compound described by In2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent In sites. In the first In site, In(1) is bonded to six equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the second In site, In(2) is bonded to six equivalent O(1) atoms to form a mixture of corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles are 54°. O(1) is bonded to one In(2) and three equivalent In(1) atoms to form a mixture of corner and edge-sharing OIn4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_In2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.813
_cell_length_b   8.813
_cell_length_c   8.813
_cell_angle_alpha   109.469
_cell_angle_beta   109.473
_cell_angle_gamma   109.469
_symmetry_Int_Tables_number   1
_cell_volume   526.980
_cell_formula_units_Z   8
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
  In  In0  1  0.750  0.284  0.534  1.0
  In  In1  1  0.250  0.716  0.466  1.0
  In  In2  1  0.000  0.000  0.500  1.0
  In  In3  1  0.500  1.000  0.000  1.0
  In  In4  1  0.534  0.750  0.284  1.0
  In  In5  1  0.466  0.250  0.716  1.0
  In  In6  1  0.750  0.784  0.034  1.0
  In  In7  1  0.250  0.216  0.966  1.0
  In  In8  1  0.284  0.534  0.750  1.0
  In  In9  1  0.034  0.750  0.784  1.0
  In  In10  1  0.000  0.500  0.000  1.0
  In  In11  1  0.500  0.500  0.500  1.0
  In  In12  1  0.966  0.250  0.216  1.0
  In  In13  1  0.716  0.466  0.250  1.0
  In  In14  1  0.216  0.966  0.250  1.0
  In  In15  1  0.784  0.034  0.750  1.0
  O  O16  1  0.545  0.537  0.772  1.0
  O  O17  1  0.537  0.772  0.545  1.0
  O  O18  1  0.963  0.508  0.235  1.0
  O  O19  1  0.265  0.773  0.728  1.0
  O  O20  1  0.463  0.228  0.455  1.0
  O  O21  1  0.045  0.272  0.008  1.0
  O  O22  1  0.228  0.455  0.463  1.0
  O  O23  1  0.992  0.955  0.727  1.0
  O  O24  1  0.272  0.735  0.228  1.0
  O  O25  1  0.235  0.963  0.508  1.0
  O  O26  1  0.508  0.235  0.963  1.0
  O  O27  1  0.008  0.045  0.272  1.0
  O  O28  1  0.765  0.037  0.492  1.0
  O  O29  1  0.955  0.727  0.992  1.0
  O  O30  1  0.228  0.272  0.735  1.0
  O  O31  1  0.727  0.992  0.955  1.0
  O  O32  1  0.773  0.728  0.265  1.0
  O  O33  1  0.728  0.265  0.773  1.0
  O  O34  1  0.735  0.228  0.272  1.0
  O  O35  1  0.037  0.492  0.765  1.0
  O  O36  1  0.272  0.008  0.045  1.0
  O  O37  1  0.492  0.764  0.037  1.0
  O  O38  1  0.772  0.545  0.537  1.0
  O  O39  1  0.455  0.463  0.228  1.0
[/CIF]
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The compound described by In2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. There are two inequivalent In sites. In the first In site, In(1) is bonded to six equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the second In site, In(2) is bonded to six equivalent O(1) atoms to form a mixture of corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles are 54°. O(1) is bonded to one In(2) and three equivalent In(1) atoms to form a mixture of corner and edge-sharing OIn4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_In2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.813
_cell_length_b   8.813
_cell_length_c   8.813
_cell_angle_alpha   109.469
_cell_angle_beta   109.473
_cell_angle_gamma   109.469
_symmetry_Int_Tables_number   1
_cell_volume   526.980
_cell_formula_units_Z   8
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
  In  In0  1  0.750  0.284  0.534  1.0
  In  In1  1  0.250  0.716  0.466  1.0
  In  In2  1  0.000  0.000  0.500  1.0
  In  In3  1  0.500  1.000  0.000  1.0
  In  In4  1  0.534  0.750  0.284  1.0
  In  In5  1  0.466  0.250  0.716  1.0
  In  In6  1  0.750  0.784  0.034  1.0
  In  In7  1  0.250  0.216  0.966  1.0
  In  In8  1  0.284  0.534  0.750  1.0
  In  In9  1  0.034  0.750  0.784  1.0
  In  In10  1  0.000  0.500  0.000  1.0
  In  In11  1  0.500  0.500  0.500  1.0
  In  In12  1  0.966  0.250  0.216  1.0
  In  In13  1  0.716  0.466  0.250  1.0
  In  In14  1  0.216  0.966  0.250  1.0
  In  In15  1  0.784  0.034  0.750  1.0
  O  O16  1  0.545  0.537  0.772  1.0
  O  O17  1  0.537  0.772  0.545  1.0
  O  O18  1  0.963  0.508  0.235  1.0
  O  O19  1  0.265  0.773  0.728  1.0
  O  O20  1  0.463  0.228  0.455  1.0
  O  O21  1  0.045  0.272  0.008  1.0
  O  O22  1  0.228  0.455  0.463  1.0
  O  O23  1  0.992  0.955  0.727  1.0
  O  O24  1  0.272  0.735  0.228  1.0
  O  O25  1  0.235  0.963  0.508  1.0
  O  O26  1  0.508  0.235  0.963  1.0
  O  O27  1  0.008  0.045  0.272  1.0
  O  O28  1  0.765  0.037  0.492  1.0
  O  O29  1  0.955  0.727  0.992  1.0
  O  O30  1  0.228  0.272  0.735  1.0
  O  O31  1  0.727  0.992  0.955  1.0
  O  O32  1  0.773  0.728  0.265  1.0
  O  O33  1  0.728  0.265  0.773  1.0
  O  O34  1  0.735  0.228  0.272  1.0
  O  O35  1  0.037  0.492  0.765  1.0
  O  O36  1  0.272  0.008  0.045  1.0
  O  O37  1  0.492  0.764  0.037  1.0
  O  O38  1  0.772  0.545  0.537  1.0
  O  O39  1  0.455  0.463  0.228  1.0
[/CIF]
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