The material described by K2TiF5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one F(3), four equivalent F(1), and four equivalent F(2) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to two equivalent F(3), four equivalent F(1), and four equivalent F(2) atoms. Ti(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one Ti(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one Ti(1) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one K(1), two equivalent K(2), and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_K2TiF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.158
_cell_length_b   7.710
_cell_length_c   10.892
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   517.180
_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
  K  K0  1  0.009  0.250  0.133  1.0
  K  K1  1  0.509  0.250  0.367  1.0
  K  K2  1  0.991  0.750  0.867  1.0
  K  K3  1  0.491  0.750  0.633  1.0
  K  K4  1  0.089  0.750  0.211  1.0
  K  K5  1  0.589  0.750  0.289  1.0
  K  K6  1  0.911  0.250  0.789  1.0
  K  K7  1  0.411  0.250  0.711  1.0
  Ti  Ti8  1  0.500  0.500  0.000  1.0
  Ti  Ti9  1  0.000  0.000  0.500  1.0
  Ti  Ti10  1  0.500  0.000  0.000  1.0
  Ti  Ti11  1  0.000  0.500  0.500  1.0
  F  F12  1  0.787  0.557  0.071  1.0
  F  F13  1  0.287  0.943  0.429  1.0
  F  F14  1  0.213  0.057  0.929  1.0
  F  F15  1  0.713  0.443  0.571  1.0
  F  F16  1  0.213  0.443  0.929  1.0
  F  F17  1  0.713  0.057  0.571  1.0
  F  F18  1  0.787  0.943  0.071  1.0
  F  F19  1  0.287  0.557  0.429  1.0
  F  F20  1  0.619  0.532  0.833  1.0
  F  F21  1  0.119  0.968  0.667  1.0
  F  F22  1  0.381  0.032  0.167  1.0
  F  F23  1  0.881  0.468  0.333  1.0
  F  F24  1  0.381  0.468  0.167  1.0
  F  F25  1  0.881  0.032  0.333  1.0
  F  F26  1  0.619  0.968  0.833  1.0
  F  F27  1  0.119  0.532  0.667  1.0
  F  F28  1  0.593  0.250  0.986  1.0
  F  F29  1  0.093  0.250  0.514  1.0
  F  F30  1  0.407  0.750  0.014  1.0
  F  F31  1  0.907  0.750  0.486  1.0
[/CIF]
.
The material described by K2TiF5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one F(3), four equivalent F(1), and four equivalent F(2) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to two equivalent F(3), four equivalent F(1), and four equivalent F(2) atoms. Ti(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one Ti(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one Ti(1) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one K(1), two equivalent K(2), and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_K2TiF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.158
_cell_length_b   7.710
_cell_length_c   10.892
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   517.180
_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
  K  K0  1  0.009  0.250  0.133  1.0
  K  K1  1  0.509  0.250  0.367  1.0
  K  K2  1  0.991  0.750  0.867  1.0
  K  K3  1  0.491  0.750  0.633  1.0
  K  K4  1  0.089  0.750  0.211  1.0
  K  K5  1  0.589  0.750  0.289  1.0
  K  K6  1  0.911  0.250  0.789  1.0
  K  K7  1  0.411  0.250  0.711  1.0
  Ti  Ti8  1  0.500  0.500  0.000  1.0
  Ti  Ti9  1  0.000  0.000  0.500  1.0
  Ti  Ti10  1  0.500  0.000  0.000  1.0
  Ti  Ti11  1  0.000  0.500  0.500  1.0
  F  F12  1  0.787  0.557  0.071  1.0
  F  F13  1  0.287  0.943  0.429  1.0
  F  F14  1  0.213  0.057  0.929  1.0
  F  F15  1  0.713  0.443  0.571  1.0
  F  F16  1  0.213  0.443  0.929  1.0
  F  F17  1  0.713  0.057  0.571  1.0
  F  F18  1  0.787  0.943  0.071  1.0
  F  F19  1  0.287  0.557  0.429  1.0
  F  F20  1  0.619  0.532  0.833  1.0
  F  F21  1  0.119  0.968  0.667  1.0
  F  F22  1  0.381  0.032  0.167  1.0
  F  F23  1  0.881  0.468  0.333  1.0
  F  F24  1  0.381  0.468  0.167  1.0
  F  F25  1  0.881  0.032  0.333  1.0
  F  F26  1  0.619  0.968  0.833  1.0
  F  F27  1  0.119  0.532  0.667  1.0
  F  F28  1  0.593  0.250  0.986  1.0
  F  F29  1  0.093  0.250  0.514  1.0
  F  F30  1  0.407  0.750  0.014  1.0
  F  F31  1  0.907  0.750  0.486  1.0
[/CIF]
.