The material described by K2Ti(O2)F4 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), four equivalent F(1), and four equivalent F(2) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing TiO2F4 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to four equivalent K(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent K(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent K(1) and one Ti(1) atom to form a mixture of distorted corner and edge-sharing FK4Ti trigonal bipyramids. In the second F site, F(2) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Ti(1) atom. is represented by the CIF card [CIF]
data_K2Ti(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.199
_cell_length_b   6.199
_cell_length_c   7.596
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   99.124
_symmetry_Int_Tables_number   1
_cell_volume   288.193
_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
  K  K0  1  0.948  0.501  0.250  1.0
  K  K1  1  0.499  0.052  0.750  1.0
  K  K2  1  0.052  0.499  0.750  1.0
  K  K3  1  0.501  0.948  0.250  1.0
  Ti  Ti4  1  0.000  0.000  0.500  1.0
  Ti  Ti5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.990  0.990  0.250  1.0
  O  O7  1  0.010  0.010  0.750  1.0
  O  O8  1  0.443  0.443  0.250  1.0
  O  O9  1  0.557  0.557  0.750  1.0
  F  F10  1  0.795  0.205  0.500  1.0
  F  F11  1  0.795  0.205  0.000  1.0
  F  F12  1  0.205  0.795  0.500  1.0
  F  F13  1  0.205  0.795  0.000  1.0
  F  F14  1  0.242  0.242  0.494  1.0
  F  F15  1  0.758  0.758  0.506  1.0
  F  F16  1  0.242  0.242  0.006  1.0
  F  F17  1  0.758  0.758  0.994  1.0
[/CIF]
.
The material described by K2Ti(O2)F4 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), four equivalent F(1), and four equivalent F(2) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing TiO2F4 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to four equivalent K(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent K(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent K(1) and one Ti(1) atom to form a mixture of distorted corner and edge-sharing FK4Ti trigonal bipyramids. In the second F site, F(2) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Ti(1) atom. is represented by the CIF card [CIF]
data_K2Ti(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.199
_cell_length_b   6.199
_cell_length_c   7.596
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   99.124
_symmetry_Int_Tables_number   1
_cell_volume   288.193
_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
  K  K0  1  0.948  0.501  0.250  1.0
  K  K1  1  0.499  0.052  0.750  1.0
  K  K2  1  0.052  0.499  0.750  1.0
  K  K3  1  0.501  0.948  0.250  1.0
  Ti  Ti4  1  0.000  0.000  0.500  1.0
  Ti  Ti5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.990  0.990  0.250  1.0
  O  O7  1  0.010  0.010  0.750  1.0
  O  O8  1  0.443  0.443  0.250  1.0
  O  O9  1  0.557  0.557  0.750  1.0
  F  F10  1  0.795  0.205  0.500  1.0
  F  F11  1  0.795  0.205  0.000  1.0
  F  F12  1  0.205  0.795  0.500  1.0
  F  F13  1  0.205  0.795  0.000  1.0
  F  F14  1  0.242  0.242  0.494  1.0
  F  F15  1  0.758  0.758  0.506  1.0
  F  F16  1  0.242  0.242  0.006  1.0
  F  F17  1  0.758  0.758  0.994  1.0
[/CIF]
.