The structure described by KTiF4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one F(1), two equivalent F(5), and four equivalent F(4) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one F(2), two equivalent F(3), two equivalent F(4), and four equivalent F(5) atoms. Ti(1) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles range from 24-37°. There are five inequivalent F sites. In the first F site, F(4) is bonded to one K(2), two equivalent K(1), and one Ti(1) atom to form a mixture of distorted corner and edge-sharing FK3Ti tetrahedra. In the second F site, F(5) is bonded to one K(1), two equivalent K(2), and one Ti(1) atom to form a mixture of distorted corner and edge-sharing FK3Ti tetrahedra. In the third F site, F(1) is bonded in a 3-coordinate geometry to one K(1) and two equivalent Ti(1) atoms. In the fourth F site, F(2) is bonded in a distorted bent 150 degrees geometry to one K(2) and two equivalent Ti(1) atoms. In the fifth F site, F(3) is bonded in a distorted bent 150 degrees geometry to one K(2) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_KTiF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.711
_cell_length_b   7.927
_cell_length_c   12.046
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   736.304
_cell_formula_units_Z   8
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  0.250  0.878  0.988  1.0
  K  K1  1  0.750  0.122  0.012  1.0
  K  K2  1  0.750  0.378  0.512  1.0
  K  K3  1  0.250  0.622  0.488  1.0
  K  K4  1  0.250  0.376  0.970  1.0
  K  K5  1  0.750  0.624  0.030  1.0
  K  K6  1  0.750  0.876  0.530  1.0
  K  K7  1  0.250  0.124  0.470  1.0
  Ti  Ti8  1  0.501  0.627  0.753  1.0
  Ti  Ti9  1  0.001  0.373  0.247  1.0
  Ti  Ti10  1  0.499  0.127  0.747  1.0
  Ti  Ti11  1  0.999  0.873  0.253  1.0
  Ti  Ti12  1  0.499  0.373  0.247  1.0
  Ti  Ti13  1  0.999  0.627  0.753  1.0
  Ti  Ti14  1  0.501  0.873  0.253  1.0
  Ti  Ti15  1  0.001  0.127  0.747  1.0
  F  F16  1  0.250  0.823  0.214  1.0
  F  F17  1  0.750  0.177  0.786  1.0
  F  F18  1  0.750  0.323  0.286  1.0
  F  F19  1  0.250  0.677  0.714  1.0
  F  F20  1  0.250  0.422  0.204  1.0
  F  F21  1  0.750  0.578  0.796  1.0
  F  F22  1  0.750  0.922  0.296  1.0
  F  F23  1  0.250  0.078  0.704  1.0
  F  F24  1  0.555  0.877  0.747  1.0
  F  F25  1  0.055  0.123  0.253  1.0
  F  F26  1  0.445  0.377  0.753  1.0
  F  F27  1  0.945  0.623  0.247  1.0
  F  F28  1  0.445  0.123  0.253  1.0
  F  F29  1  0.945  0.877  0.747  1.0
  F  F30  1  0.555  0.623  0.247  1.0
  F  F31  1  0.055  0.377  0.753  1.0
  F  F32  1  0.054  0.115  0.901  1.0
  F  F33  1  0.554  0.885  0.099  1.0
  F  F34  1  0.946  0.615  0.599  1.0
  F  F35  1  0.446  0.385  0.401  1.0
  F  F36  1  0.946  0.885  0.099  1.0
  F  F37  1  0.446  0.115  0.901  1.0
  F  F38  1  0.054  0.385  0.401  1.0
  F  F39  1  0.554  0.615  0.599  1.0
  F  F40  1  0.050  0.638  0.907  1.0
  F  F41  1  0.550  0.362  0.093  1.0
  F  F42  1  0.950  0.138  0.593  1.0
  F  F43  1  0.450  0.862  0.407  1.0
  F  F44  1  0.950  0.362  0.093  1.0
  F  F45  1  0.450  0.638  0.907  1.0
  F  F46  1  0.050  0.862  0.407  1.0
  F  F47  1  0.550  0.138  0.593  1.0
[/CIF]
.
The structure described by KTiF4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one F(1), two equivalent F(5), and four equivalent F(4) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one F(2), two equivalent F(3), two equivalent F(4), and four equivalent F(5) atoms. Ti(1) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles range from 24-37°. There are five inequivalent F sites. In the first F site, F(4) is bonded to one K(2), two equivalent K(1), and one Ti(1) atom to form a mixture of distorted corner and edge-sharing FK3Ti tetrahedra. In the second F site, F(5) is bonded to one K(1), two equivalent K(2), and one Ti(1) atom to form a mixture of distorted corner and edge-sharing FK3Ti tetrahedra. In the third F site, F(1) is bonded in a 3-coordinate geometry to one K(1) and two equivalent Ti(1) atoms. In the fourth F site, F(2) is bonded in a distorted bent 150 degrees geometry to one K(2) and two equivalent Ti(1) atoms. In the fifth F site, F(3) is bonded in a distorted bent 150 degrees geometry to one K(2) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_KTiF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.711
_cell_length_b   7.927
_cell_length_c   12.046
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   736.304
_cell_formula_units_Z   8
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  0.250  0.878  0.988  1.0
  K  K1  1  0.750  0.122  0.012  1.0
  K  K2  1  0.750  0.378  0.512  1.0
  K  K3  1  0.250  0.622  0.488  1.0
  K  K4  1  0.250  0.376  0.970  1.0
  K  K5  1  0.750  0.624  0.030  1.0
  K  K6  1  0.750  0.876  0.530  1.0
  K  K7  1  0.250  0.124  0.470  1.0
  Ti  Ti8  1  0.501  0.627  0.753  1.0
  Ti  Ti9  1  0.001  0.373  0.247  1.0
  Ti  Ti10  1  0.499  0.127  0.747  1.0
  Ti  Ti11  1  0.999  0.873  0.253  1.0
  Ti  Ti12  1  0.499  0.373  0.247  1.0
  Ti  Ti13  1  0.999  0.627  0.753  1.0
  Ti  Ti14  1  0.501  0.873  0.253  1.0
  Ti  Ti15  1  0.001  0.127  0.747  1.0
  F  F16  1  0.250  0.823  0.214  1.0
  F  F17  1  0.750  0.177  0.786  1.0
  F  F18  1  0.750  0.323  0.286  1.0
  F  F19  1  0.250  0.677  0.714  1.0
  F  F20  1  0.250  0.422  0.204  1.0
  F  F21  1  0.750  0.578  0.796  1.0
  F  F22  1  0.750  0.922  0.296  1.0
  F  F23  1  0.250  0.078  0.704  1.0
  F  F24  1  0.555  0.877  0.747  1.0
  F  F25  1  0.055  0.123  0.253  1.0
  F  F26  1  0.445  0.377  0.753  1.0
  F  F27  1  0.945  0.623  0.247  1.0
  F  F28  1  0.445  0.123  0.253  1.0
  F  F29  1  0.945  0.877  0.747  1.0
  F  F30  1  0.555  0.623  0.247  1.0
  F  F31  1  0.055  0.377  0.753  1.0
  F  F32  1  0.054  0.115  0.901  1.0
  F  F33  1  0.554  0.885  0.099  1.0
  F  F34  1  0.946  0.615  0.599  1.0
  F  F35  1  0.446  0.385  0.401  1.0
  F  F36  1  0.946  0.885  0.099  1.0
  F  F37  1  0.446  0.115  0.901  1.0
  F  F38  1  0.054  0.385  0.401  1.0
  F  F39  1  0.554  0.615  0.599  1.0
  F  F40  1  0.050  0.638  0.907  1.0
  F  F41  1  0.550  0.362  0.093  1.0
  F  F42  1  0.950  0.138  0.593  1.0
  F  F43  1  0.450  0.862  0.407  1.0
  F  F44  1  0.950  0.362  0.093  1.0
  F  F45  1  0.450  0.638  0.907  1.0
  F  F46  1  0.050  0.862  0.407  1.0
  F  F47  1  0.550  0.138  0.593  1.0
[/CIF]
.