The crystal structure described by TiO2 is Baddeleyite structured and crystallizes in the monoclinic P2_1/c space group. Ti(1) is bonded to three equivalent O(2) and four equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing TiO7 pentagonal bipyramids. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ti(1) atoms. In the second O site, O(1) is bonded to four equivalent Ti(1) atoms to form a mixture of edge and corner-sharing OTi4 tetrahedra. is represented by the CIF card [CIF]
data_TiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.813
_cell_length_b   5.041
_cell_length_c   4.872
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   99.856
_symmetry_Int_Tables_number   1
_cell_volume   116.451
_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  0.723  0.287  0.553  1.0
  Ti  Ti1  1  0.277  0.213  0.053  1.0
  Ti  Ti2  1  0.277  0.713  0.447  1.0
  Ti  Ti3  1  0.723  0.787  0.947  1.0
  O  O4  1  0.555  0.033  0.258  1.0
  O  O5  1  0.445  0.467  0.758  1.0
  O  O6  1  0.445  0.967  0.742  1.0
  O  O7  1  0.555  0.533  0.242  1.0
  O  O8  1  0.936  0.648  0.677  1.0
  O  O9  1  0.064  0.852  0.177  1.0
  O  O10  1  0.064  0.352  0.323  1.0
  O  O11  1  0.936  0.148  0.823  1.0
[/CIF]
.
The crystal structure described by TiO2 is Baddeleyite structured and crystallizes in the monoclinic P2_1/c space group. Ti(1) is bonded to three equivalent O(2) and four equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing TiO7 pentagonal bipyramids. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ti(1) atoms. In the second O site, O(1) is bonded to four equivalent Ti(1) atoms to form a mixture of edge and corner-sharing OTi4 tetrahedra. is represented by the CIF card [CIF]
data_TiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.813
_cell_length_b   5.041
_cell_length_c   4.872
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   99.856
_symmetry_Int_Tables_number   1
_cell_volume   116.451
_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  0.723  0.287  0.553  1.0
  Ti  Ti1  1  0.277  0.213  0.053  1.0
  Ti  Ti2  1  0.277  0.713  0.447  1.0
  Ti  Ti3  1  0.723  0.787  0.947  1.0
  O  O4  1  0.555  0.033  0.258  1.0
  O  O5  1  0.445  0.467  0.758  1.0
  O  O6  1  0.445  0.967  0.742  1.0
  O  O7  1  0.555  0.533  0.242  1.0
  O  O8  1  0.936  0.648  0.677  1.0
  O  O9  1  0.064  0.852  0.177  1.0
  O  O10  1  0.064  0.352  0.323  1.0
  O  O11  1  0.936  0.148  0.823  1.0
[/CIF]
.