The material described by TiO2 is beta Vanadium nitride-like structured and crystallizes in the monoclinic C2/c space group. Ti(1) is bonded to six equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 23°. O(1) is bonded in a distorted T-shaped geometry to three equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_TiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.827
_cell_length_b   3.827
_cell_length_c   5.472
_cell_angle_alpha   70.107
_cell_angle_beta   70.107
_cell_angle_gamma   90.013
_symmetry_Int_Tables_number   1
_cell_volume   70.264
_cell_formula_units_Z   2
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  0.866  0.134  0.250  1.0
  Ti  Ti1  1  0.134  0.866  0.750  1.0
  O  O2  1  0.669  0.911  0.667  1.0
  O  O3  1  0.331  0.089  0.333  1.0
  O  O4  1  0.089  0.331  0.833  1.0
  O  O5  1  0.911  0.669  0.167  1.0
[/CIF]
.
The material described by TiO2 is beta Vanadium nitride-like structured and crystallizes in the monoclinic C2/c space group. Ti(1) is bonded to six equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 23°. O(1) is bonded in a distorted T-shaped geometry to three equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_TiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.827
_cell_length_b   3.827
_cell_length_c   5.472
_cell_angle_alpha   70.107
_cell_angle_beta   70.107
_cell_angle_gamma   90.013
_symmetry_Int_Tables_number   1
_cell_volume   70.264
_cell_formula_units_Z   2
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  0.866  0.134  0.250  1.0
  Ti  Ti1  1  0.134  0.866  0.750  1.0
  O  O2  1  0.669  0.911  0.667  1.0
  O  O3  1  0.331  0.089  0.333  1.0
  O  O4  1  0.089  0.331  0.833  1.0
  O  O5  1  0.911  0.669  0.167  1.0
[/CIF]
.