The crystal structure described by TiO2 crystallizes in the orthorhombic Cmcm space group. Ti(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-41°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a square co-planar geometry to four equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_TiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.018
_cell_length_b   5.018
_cell_length_c   10.235
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   145.833
_symmetry_Int_Tables_number   1
_cell_volume   144.737
_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  0.133  0.867  0.083  1.0
  Ti  Ti1  1  0.867  0.133  0.917  1.0
  Ti  Ti2  1  0.133  0.867  0.417  1.0
  Ti  Ti3  1  0.867  0.133  0.583  1.0
  O  O4  1  0.754  0.246  0.397  1.0
  O  O5  1  0.246  0.754  0.603  1.0
  O  O6  1  0.246  0.754  0.897  1.0
  O  O7  1  0.754  0.246  0.103  1.0
  O  O8  1  0.066  0.934  0.250  1.0
  O  O9  1  0.934  0.066  0.750  1.0
  O  O10  1  0.500  0.500  0.000  1.0
  O  O11  1  0.500  0.500  0.500  1.0
[/CIF]
.
The crystal structure described by TiO2 crystallizes in the orthorhombic Cmcm space group. Ti(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-41°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a square co-planar geometry to four equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_TiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.018
_cell_length_b   5.018
_cell_length_c   10.235
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   145.833
_symmetry_Int_Tables_number   1
_cell_volume   144.737
_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  0.133  0.867  0.083  1.0
  Ti  Ti1  1  0.867  0.133  0.917  1.0
  Ti  Ti2  1  0.133  0.867  0.417  1.0
  Ti  Ti3  1  0.867  0.133  0.583  1.0
  O  O4  1  0.754  0.246  0.397  1.0
  O  O5  1  0.246  0.754  0.603  1.0
  O  O6  1  0.246  0.754  0.897  1.0
  O  O7  1  0.754  0.246  0.103  1.0
  O  O8  1  0.066  0.934  0.250  1.0
  O  O9  1  0.934  0.066  0.750  1.0
  O  O10  1  0.500  0.500  0.000  1.0
  O  O11  1  0.500  0.500  0.500  1.0
[/CIF]
.