The structure described by TiO2 crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing TiO5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.773
_cell_length_b   5.987
_cell_length_c   9.073
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   204.947
_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  0.250  0.988  0.364  1.0
  Ti  Ti1  1  0.750  0.012  0.636  1.0
  Ti  Ti2  1  0.250  0.488  0.136  1.0
  Ti  Ti3  1  0.750  0.512  0.864  1.0
  O  O4  1  0.750  0.962  0.418  1.0
  O  O5  1  0.250  0.236  0.255  1.0
  O  O6  1  0.750  0.764  0.745  1.0
  O  O7  1  0.250  0.038  0.582  1.0
  O  O8  1  0.750  0.462  0.082  1.0
  O  O9  1  0.250  0.736  0.245  1.0
  O  O10  1  0.750  0.264  0.755  1.0
  O  O11  1  0.250  0.538  0.918  1.0
[/CIF]
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The structure described by TiO2 crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing TiO5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.773
_cell_length_b   5.987
_cell_length_c   9.073
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   204.947
_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  0.250  0.988  0.364  1.0
  Ti  Ti1  1  0.750  0.012  0.636  1.0
  Ti  Ti2  1  0.250  0.488  0.136  1.0
  Ti  Ti3  1  0.750  0.512  0.864  1.0
  O  O4  1  0.750  0.962  0.418  1.0
  O  O5  1  0.250  0.236  0.255  1.0
  O  O6  1  0.750  0.764  0.745  1.0
  O  O7  1  0.250  0.038  0.582  1.0
  O  O8  1  0.750  0.462  0.082  1.0
  O  O9  1  0.250  0.736  0.245  1.0
  O  O10  1  0.750  0.264  0.755  1.0
  O  O11  1  0.250  0.538  0.918  1.0
[/CIF]
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