The material structure described by In2O3 is Corundum structured and crystallizes in the trigonal R-3c space group. In(1) is bonded to six equivalent O(1) atoms to form a mixture of distorted face, corner, and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 49-64°. O(1) is bonded to four equivalent In(1) atoms to form a mixture of distorted corner and edge-sharing OIn4 trigonal pyramids. is represented by the CIF card [CIF]
data_In2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.814
_cell_length_b   5.814
_cell_length_c   5.814
_cell_angle_alpha   56.643
_cell_angle_beta   56.643
_cell_angle_gamma   56.643
_symmetry_Int_Tables_number   1
_cell_volume   128.167
_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
  In  In0  1  0.643  0.643  0.643  1.0
  In  In1  1  0.857  0.857  0.857  1.0
  In  In2  1  0.357  0.357  0.357  1.0
  In  In3  1  0.143  0.143  0.143  1.0
  O  O4  1  0.046  0.750  0.454  1.0
  O  O5  1  0.750  0.454  0.046  1.0
  O  O6  1  0.454  0.046  0.750  1.0
  O  O7  1  0.954  0.250  0.546  1.0
  O  O8  1  0.546  0.954  0.250  1.0
  O  O9  1  0.250  0.546  0.954  1.0
[/CIF]
.
The material structure described by In2O3 is Corundum structured and crystallizes in the trigonal R-3c space group. In(1) is bonded to six equivalent O(1) atoms to form a mixture of distorted face, corner, and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 49-64°. O(1) is bonded to four equivalent In(1) atoms to form a mixture of distorted corner and edge-sharing OIn4 trigonal pyramids. is represented by the CIF card [CIF]
data_In2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.814
_cell_length_b   5.814
_cell_length_c   5.814
_cell_angle_alpha   56.643
_cell_angle_beta   56.643
_cell_angle_gamma   56.643
_symmetry_Int_Tables_number   1
_cell_volume   128.167
_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
  In  In0  1  0.643  0.643  0.643  1.0
  In  In1  1  0.857  0.857  0.857  1.0
  In  In2  1  0.357  0.357  0.357  1.0
  In  In3  1  0.143  0.143  0.143  1.0
  O  O4  1  0.046  0.750  0.454  1.0
  O  O5  1  0.750  0.454  0.046  1.0
  O  O6  1  0.454  0.046  0.750  1.0
  O  O7  1  0.954  0.250  0.546  1.0
  O  O8  1  0.546  0.954  0.250  1.0
  O  O9  1  0.250  0.546  0.954  1.0
[/CIF]
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