The crystal structure described by TiO2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pbcn space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the second Ti site, Ti(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to three equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ti(2) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_TiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.544
_cell_length_b   5.518
_cell_length_c   14.896
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   373.524
_cell_formula_units_Z   12
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  0.000  0.358  0.084  1.0
  Ti  Ti1  1  0.000  0.040  0.250  1.0
  Ti  Ti2  1  1.000  0.358  0.416  1.0
  Ti  Ti3  1  0.000  0.960  0.750  1.0
  Ti  Ti4  1  0.000  0.642  0.584  1.0
  Ti  Ti5  1  1.000  0.642  0.916  1.0
  Ti  Ti6  1  0.500  0.142  0.584  1.0
  Ti  Ti7  1  0.500  0.540  0.250  1.0
  Ti  Ti8  1  0.500  0.460  0.750  1.0
  Ti  Ti9  1  0.500  0.142  0.916  1.0
  Ti  Ti10  1  0.500  0.858  0.416  1.0
  Ti  Ti11  1  0.500  0.858  0.084  1.0
  O  O12  1  0.209  0.630  0.030  1.0
  O  O13  1  0.209  0.370  0.530  1.0
  O  O14  1  0.274  0.166  0.696  1.0
  O  O15  1  0.274  0.834  0.196  1.0
  O  O16  1  0.215  0.088  0.363  1.0
  O  O17  1  0.215  0.912  0.863  1.0
  O  O18  1  0.285  0.588  0.363  1.0
  O  O19  1  0.285  0.412  0.863  1.0
  O  O20  1  0.226  0.334  0.196  1.0
  O  O21  1  0.226  0.666  0.696  1.0
  O  O22  1  0.291  0.870  0.530  1.0
  O  O23  1  0.291  0.130  0.030  1.0
  O  O24  1  0.709  0.130  0.470  1.0
  O  O25  1  0.709  0.870  0.970  1.0
  O  O26  1  0.774  0.334  0.304  1.0
  O  O27  1  0.774  0.666  0.804  1.0
  O  O28  1  0.715  0.588  0.137  1.0
  O  O29  1  0.715  0.412  0.637  1.0
  O  O30  1  0.785  0.088  0.137  1.0
  O  O31  1  0.785  0.912  0.637  1.0
  O  O32  1  0.726  0.166  0.804  1.0
  O  O33  1  0.726  0.834  0.304  1.0
  O  O34  1  0.791  0.370  0.970  1.0
  O  O35  1  0.791  0.630  0.470  1.0
[/CIF]
.
The crystal structure described by TiO2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pbcn space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the second Ti site, Ti(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to three equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ti(2) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_TiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.544
_cell_length_b   5.518
_cell_length_c   14.896
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   373.524
_cell_formula_units_Z   12
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  0.000  0.358  0.084  1.0
  Ti  Ti1  1  0.000  0.040  0.250  1.0
  Ti  Ti2  1  1.000  0.358  0.416  1.0
  Ti  Ti3  1  0.000  0.960  0.750  1.0
  Ti  Ti4  1  0.000  0.642  0.584  1.0
  Ti  Ti5  1  1.000  0.642  0.916  1.0
  Ti  Ti6  1  0.500  0.142  0.584  1.0
  Ti  Ti7  1  0.500  0.540  0.250  1.0
  Ti  Ti8  1  0.500  0.460  0.750  1.0
  Ti  Ti9  1  0.500  0.142  0.916  1.0
  Ti  Ti10  1  0.500  0.858  0.416  1.0
  Ti  Ti11  1  0.500  0.858  0.084  1.0
  O  O12  1  0.209  0.630  0.030  1.0
  O  O13  1  0.209  0.370  0.530  1.0
  O  O14  1  0.274  0.166  0.696  1.0
  O  O15  1  0.274  0.834  0.196  1.0
  O  O16  1  0.215  0.088  0.363  1.0
  O  O17  1  0.215  0.912  0.863  1.0
  O  O18  1  0.285  0.588  0.363  1.0
  O  O19  1  0.285  0.412  0.863  1.0
  O  O20  1  0.226  0.334  0.196  1.0
  O  O21  1  0.226  0.666  0.696  1.0
  O  O22  1  0.291  0.870  0.530  1.0
  O  O23  1  0.291  0.130  0.030  1.0
  O  O24  1  0.709  0.130  0.470  1.0
  O  O25  1  0.709  0.870  0.970  1.0
  O  O26  1  0.774  0.334  0.304  1.0
  O  O27  1  0.774  0.666  0.804  1.0
  O  O28  1  0.715  0.588  0.137  1.0
  O  O29  1  0.715  0.412  0.637  1.0
  O  O30  1  0.785  0.088  0.137  1.0
  O  O31  1  0.785  0.912  0.637  1.0
  O  O32  1  0.726  0.166  0.804  1.0
  O  O33  1  0.726  0.834  0.304  1.0
  O  O34  1  0.791  0.370  0.970  1.0
  O  O35  1  0.791  0.630  0.470  1.0
[/CIF]
.