The compound described by TiO2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. Ti(1) is bonded to six equivalent O(1) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 49°. O(1) is bonded in a distorted trigonal planar 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   2.959
_cell_length_b   4.600
_cell_length_c   4.600
_cell_angle_alpha   89.996
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   62.613
_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
  O  O0  1  0.500  0.304  0.196  1.0
  O  O1  1  0.000  0.196  0.696  1.0
  O  O2  1  0.000  0.804  0.304  1.0
  O  O3  1  0.500  0.696  0.804  1.0
  Ti  Ti4  1  0.000  0.500  0.000  1.0
  Ti  Ti5  1  0.500  1.000  0.500  1.0
[/CIF]
.
The compound described by TiO2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. Ti(1) is bonded to six equivalent O(1) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 49°. O(1) is bonded in a distorted trigonal planar 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   2.959
_cell_length_b   4.600
_cell_length_c   4.600
_cell_angle_alpha   89.996
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   62.613
_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
  O  O0  1  0.500  0.304  0.196  1.0
  O  O1  1  0.000  0.196  0.696  1.0
  O  O2  1  0.000  0.804  0.304  1.0
  O  O3  1  0.500  0.696  0.804  1.0
  Ti  Ti4  1  0.000  0.500  0.000  1.0
  Ti  Ti5  1  0.500  1.000  0.500  1.0
[/CIF]
.