The compound described by TiO2 is trigonal omega-like structured and crystallizes in the cubic Fd-3m space group. Ti(1) is bonded to six equivalent O(1) atoms to form edge-sharing TiO6 octahedra. 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   5.967
_cell_length_b   5.967
_cell_length_c   5.967
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   150.215
_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  0.125  0.125  0.625  1.0
  Ti  Ti1  1  0.625  0.125  0.125  1.0
  Ti  Ti2  1  0.125  0.625  0.125  1.0
  Ti  Ti3  1  0.125  0.125  0.125  1.0
  O  O4  1  0.891  0.891  0.891  1.0
  O  O5  1  0.891  0.328  0.891  1.0
  O  O6  1  0.891  0.891  0.328  1.0
  O  O7  1  0.328  0.891  0.891  1.0
  O  O8  1  0.359  0.359  0.922  1.0
  O  O9  1  0.922  0.359  0.359  1.0
  O  O10  1  0.359  0.922  0.359  1.0
  O  O11  1  0.359  0.359  0.359  1.0
[/CIF]
.
The compound described by TiO2 is trigonal omega-like structured and crystallizes in the cubic Fd-3m space group. Ti(1) is bonded to six equivalent O(1) atoms to form edge-sharing TiO6 octahedra. 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   5.967
_cell_length_b   5.967
_cell_length_c   5.967
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   150.215
_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  0.125  0.125  0.625  1.0
  Ti  Ti1  1  0.625  0.125  0.125  1.0
  Ti  Ti2  1  0.125  0.625  0.125  1.0
  Ti  Ti3  1  0.125  0.125  0.125  1.0
  O  O4  1  0.891  0.891  0.891  1.0
  O  O5  1  0.891  0.328  0.891  1.0
  O  O6  1  0.891  0.891  0.328  1.0
  O  O7  1  0.328  0.891  0.891  1.0
  O  O8  1  0.359  0.359  0.922  1.0
  O  O9  1  0.922  0.359  0.359  1.0
  O  O10  1  0.359  0.922  0.359  1.0
  O  O11  1  0.359  0.359  0.359  1.0
[/CIF]
.