The crystal structure described by Ti2O3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing TiO7 pentagonal bipyramids. In the second Ti site, Ti(2) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ti(1) and three equivalent Ti(2) atoms to form a mixture of distorted corner and edge-sharing OTi5 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Ti(2) and three equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OTi5 trigonal bipyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Ti(1) and two equivalent Ti(2) atoms. is represented by the CIF file [CIF]
data_Ti2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.838
_cell_length_b   7.829
_cell_length_c   8.145
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   180.974
_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
  Ti  Ti0  1  0.750  0.469  0.816  1.0
  Ti  Ti1  1  0.750  0.969  0.684  1.0
  Ti  Ti2  1  0.250  0.531  0.184  1.0
  Ti  Ti3  1  0.250  0.031  0.316  1.0
  Ti  Ti4  1  0.750  0.304  0.481  1.0
  Ti  Ti5  1  0.750  0.804  0.019  1.0
  Ti  Ti6  1  0.250  0.696  0.519  1.0
  Ti  Ti7  1  0.250  0.196  0.981  1.0
  O  O8  1  0.750  0.558  0.375  1.0
  O  O9  1  0.750  0.058  0.125  1.0
  O  O10  1  0.250  0.442  0.625  1.0
  O  O11  1  0.250  0.942  0.875  1.0
  O  O12  1  0.750  0.379  0.053  1.0
  O  O13  1  0.750  0.879  0.447  1.0
  O  O14  1  0.250  0.621  0.947  1.0
  O  O15  1  0.250  0.121  0.553  1.0
  O  O16  1  0.750  0.707  0.690  1.0
  O  O17  1  0.750  0.207  0.810  1.0
  O  O18  1  0.250  0.293  0.310  1.0
  O  O19  1  0.250  0.793  0.190  1.0
[/CIF]
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The crystal structure described by Ti2O3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing TiO7 pentagonal bipyramids. In the second Ti site, Ti(2) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ti(1) and three equivalent Ti(2) atoms to form a mixture of distorted corner and edge-sharing OTi5 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Ti(2) and three equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OTi5 trigonal bipyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Ti(1) and two equivalent Ti(2) atoms. is represented by the CIF file [CIF]
data_Ti2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.838
_cell_length_b   7.829
_cell_length_c   8.145
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   180.974
_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
  Ti  Ti0  1  0.750  0.469  0.816  1.0
  Ti  Ti1  1  0.750  0.969  0.684  1.0
  Ti  Ti2  1  0.250  0.531  0.184  1.0
  Ti  Ti3  1  0.250  0.031  0.316  1.0
  Ti  Ti4  1  0.750  0.304  0.481  1.0
  Ti  Ti5  1  0.750  0.804  0.019  1.0
  Ti  Ti6  1  0.250  0.696  0.519  1.0
  Ti  Ti7  1  0.250  0.196  0.981  1.0
  O  O8  1  0.750  0.558  0.375  1.0
  O  O9  1  0.750  0.058  0.125  1.0
  O  O10  1  0.250  0.442  0.625  1.0
  O  O11  1  0.250  0.942  0.875  1.0
  O  O12  1  0.750  0.379  0.053  1.0
  O  O13  1  0.750  0.879  0.447  1.0
  O  O14  1  0.250  0.621  0.947  1.0
  O  O15  1  0.250  0.121  0.553  1.0
  O  O16  1  0.750  0.707  0.690  1.0
  O  O17  1  0.750  0.207  0.810  1.0
  O  O18  1  0.250  0.293  0.310  1.0
  O  O19  1  0.250  0.793  0.190  1.0
[/CIF]
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