The crystal structure described by In2O3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent In sites. In the first In site, In(1) is bonded to one O(3), three equivalent O(1), and three equivalent O(2) atoms to form distorted edge-sharing InO7 pentagonal bipyramids. In the second In site, In(2) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one In(2) and three equivalent In(1) atoms to form distorted OIn4 trigonal pyramids that share corners with five equivalent O(2)In5 trigonal bipyramids, corners with seven equivalent O(3)In5 trigonal bipyramids, corners with two equivalent O(1)In4 trigonal pyramids, edges with three equivalent O(2)In5 trigonal bipyramids, and edges with two equivalent O(1)In4 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent In(2) and three equivalent In(1) atoms to form distorted OIn5 trigonal bipyramids that share corners with six equivalent O(3)In5 trigonal bipyramids, corners with five equivalent O(1)In4 trigonal pyramids,  an edgeedge with one O(3)In5 trigonal bipyramid, edges with four equivalent O(2)In5 trigonal bipyramids, edges with three equivalent O(1)In4 trigonal pyramids, and  a faceface with one O(3)In5 trigonal bipyramid. In the third O site, O(3) is bonded to one In(1) and four equivalent In(2) atoms to form distorted OIn5 trigonal bipyramids that share corners with four equivalent O(3)In5 trigonal bipyramids, corners with six equivalent O(2)In5 trigonal bipyramids, corners with seven equivalent O(1)In4 trigonal pyramids,  an edgeedge with one O(2)In5 trigonal bipyramid, edges with four equivalent O(3)In5 trigonal bipyramids, and  a faceface with one O(2)In5 trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_In2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.201
_cell_length_b   5.861
_cell_length_c   12.948
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.908
_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
  In  In0  1  0.750  0.234  0.548  1.0
  In  In1  1  0.750  0.734  0.952  1.0
  In  In2  1  0.750  0.326  0.305  1.0
  In  In3  1  0.250  0.174  0.805  1.0
  In  In4  1  0.250  0.766  0.452  1.0
  In  In5  1  0.250  0.266  0.048  1.0
  In  In6  1  0.250  0.674  0.695  1.0
  In  In7  1  0.750  0.826  0.195  1.0
  O  O8  1  0.750  0.479  0.099  1.0
  O  O9  1  0.750  0.620  0.567  1.0
  O  O10  1  0.750  0.350  0.722  1.0
  O  O11  1  0.250  0.880  0.067  1.0
  O  O12  1  0.750  0.850  0.778  1.0
  O  O13  1  0.750  0.979  0.401  1.0
  O  O14  1  0.250  0.650  0.278  1.0
  O  O15  1  0.250  0.380  0.433  1.0
  O  O16  1  0.250  0.150  0.222  1.0
  O  O17  1  0.250  0.521  0.901  1.0
  O  O18  1  0.250  0.021  0.599  1.0
  O  O19  1  0.750  0.120  0.933  1.0
[/CIF]
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The crystal structure described by In2O3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent In sites. In the first In site, In(1) is bonded to one O(3), three equivalent O(1), and three equivalent O(2) atoms to form distorted edge-sharing InO7 pentagonal bipyramids. In the second In site, In(2) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one In(2) and three equivalent In(1) atoms to form distorted OIn4 trigonal pyramids that share corners with five equivalent O(2)In5 trigonal bipyramids, corners with seven equivalent O(3)In5 trigonal bipyramids, corners with two equivalent O(1)In4 trigonal pyramids, edges with three equivalent O(2)In5 trigonal bipyramids, and edges with two equivalent O(1)In4 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent In(2) and three equivalent In(1) atoms to form distorted OIn5 trigonal bipyramids that share corners with six equivalent O(3)In5 trigonal bipyramids, corners with five equivalent O(1)In4 trigonal pyramids,  an edgeedge with one O(3)In5 trigonal bipyramid, edges with four equivalent O(2)In5 trigonal bipyramids, edges with three equivalent O(1)In4 trigonal pyramids, and  a faceface with one O(3)In5 trigonal bipyramid. In the third O site, O(3) is bonded to one In(1) and four equivalent In(2) atoms to form distorted OIn5 trigonal bipyramids that share corners with four equivalent O(3)In5 trigonal bipyramids, corners with six equivalent O(2)In5 trigonal bipyramids, corners with seven equivalent O(1)In4 trigonal pyramids,  an edgeedge with one O(2)In5 trigonal bipyramid, edges with four equivalent O(3)In5 trigonal bipyramids, and  a faceface with one O(2)In5 trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_In2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.201
_cell_length_b   5.861
_cell_length_c   12.948
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.908
_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
  In  In0  1  0.750  0.234  0.548  1.0
  In  In1  1  0.750  0.734  0.952  1.0
  In  In2  1  0.750  0.326  0.305  1.0
  In  In3  1  0.250  0.174  0.805  1.0
  In  In4  1  0.250  0.766  0.452  1.0
  In  In5  1  0.250  0.266  0.048  1.0
  In  In6  1  0.250  0.674  0.695  1.0
  In  In7  1  0.750  0.826  0.195  1.0
  O  O8  1  0.750  0.479  0.099  1.0
  O  O9  1  0.750  0.620  0.567  1.0
  O  O10  1  0.750  0.350  0.722  1.0
  O  O11  1  0.250  0.880  0.067  1.0
  O  O12  1  0.750  0.850  0.778  1.0
  O  O13  1  0.750  0.979  0.401  1.0
  O  O14  1  0.250  0.650  0.278  1.0
  O  O15  1  0.250  0.380  0.433  1.0
  O  O16  1  0.250  0.150  0.222  1.0
  O  O17  1  0.250  0.521  0.901  1.0
  O  O18  1  0.250  0.021  0.599  1.0
  O  O19  1  0.750  0.120  0.933  1.0
[/CIF]
.