The compound described by KTiO2F is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. K(1) is bonded to eight equivalent O(1) and four equivalent F(1) atoms to form KO8F4 cuboctahedra that share corners with twelve equivalent K(1)O8F4 cuboctahedra, faces with six equivalent K(1)O8F4 cuboctahedra, and faces with eight equivalent Ti(1)O4F2 octahedra. Ti(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form TiO4F2 octahedra that share corners with six equivalent Ti(1)O4F2 octahedra and faces with eight equivalent K(1)O8F4 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to four equivalent K(1) and two equivalent Ti(1) atoms. F(1) is bonded to four equivalent K(1) and two equivalent Ti(1) atoms to form a mixture of corner and edge-sharing FK4Ti2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_KTiO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.876
_cell_length_b   3.876
_cell_length_c   4.185
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   62.854
_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  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.500  0.000  0.500  1.0
  O  O3  1  0.000  0.500  0.500  1.0
  F  F4  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by KTiO2F is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. K(1) is bonded to eight equivalent O(1) and four equivalent F(1) atoms to form KO8F4 cuboctahedra that share corners with twelve equivalent K(1)O8F4 cuboctahedra, faces with six equivalent K(1)O8F4 cuboctahedra, and faces with eight equivalent Ti(1)O4F2 octahedra. Ti(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form TiO4F2 octahedra that share corners with six equivalent Ti(1)O4F2 octahedra and faces with eight equivalent K(1)O8F4 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to four equivalent K(1) and two equivalent Ti(1) atoms. F(1) is bonded to four equivalent K(1) and two equivalent Ti(1) atoms to form a mixture of corner and edge-sharing FK4Ti2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_KTiO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.876
_cell_length_b   3.876
_cell_length_c   4.185
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   62.854
_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  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.500  0.000  0.500  1.0
  O  O3  1  0.000  0.500  0.500  1.0
  F  F4  1  0.500  0.500  0.000  1.0
[/CIF]
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