The structure described by KTiO3 crystallizes in the tetragonal P4mm space group. K(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Ti(1) atom. is represented by the CIF file [CIF]
data_KTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.692
_cell_length_b   3.692
_cell_length_c   5.767
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   78.596
_cell_formula_units_Z   1
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
  K  K0  1  0.500  0.500  0.996  1.0
  Ti  Ti1  1  0.000  0.000  0.495  1.0
  O  O2  1  0.500  0.000  0.606  1.0
  O  O3  1  0.000  0.500  0.606  1.0
  O  O4  1  0.000  0.000  0.195  1.0
[/CIF]
.
The structure described by KTiO3 crystallizes in the tetragonal P4mm space group. K(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Ti(1) atom. is represented by the CIF file [CIF]
data_KTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.692
_cell_length_b   3.692
_cell_length_c   5.767
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   78.596
_cell_formula_units_Z   1
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
  K  K0  1  0.500  0.500  0.996  1.0
  Ti  Ti1  1  0.000  0.000  0.495  1.0
  O  O2  1  0.500  0.000  0.606  1.0
  O  O3  1  0.000  0.500  0.606  1.0
  O  O4  1  0.000  0.000  0.195  1.0
[/CIF]
.