The material structure described by K2(HF)TiF6 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 11-coordinate geometry to three equivalent F(4), four equivalent F(3), and four equivalent F(5) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(4), two equivalent F(3), and two equivalent F(5) atoms. Ti(1) is bonded in an octahedral geometry to one F(2), one F(4), two equivalent F(3), and two equivalent F(5) atoms. H(1) is bonded in a linear geometry to one F(1) and one F(2) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one K(2) and one H(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one K(2), one Ti(1), and one H(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(1), and one Ti(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one K(2), three equivalent K(1), and one Ti(1) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2TiHF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.189
_cell_length_b   6.173
_cell_length_c   9.186
_cell_angle_alpha   90.000
_cell_angle_beta   99.966
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   345.632
_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  0.243  0.250  0.996  1.0
  K  K1  1  0.757  0.750  0.004  1.0
  K  K2  1  0.181  0.750  0.673  1.0
  K  K3  1  0.819  0.250  0.327  1.0
  Ti  Ti4  1  0.303  0.750  0.214  1.0
  Ti  Ti5  1  0.697  0.250  0.786  1.0
  H  H6  1  0.344  0.250  0.533  1.0
  H  H7  1  0.656  0.750  0.467  1.0
  F  F8  1  0.184  0.250  0.523  1.0
  F  F9  1  0.816  0.750  0.477  1.0
  F  F10  1  0.406  0.750  0.424  1.0
  F  F11  1  0.594  0.250  0.576  1.0
  F  F12  1  0.091  0.535  0.221  1.0
  F  F13  1  0.909  0.035  0.779  1.0
  F  F14  1  0.909  0.465  0.779  1.0
  F  F15  1  0.091  0.965  0.221  1.0
  F  F16  1  0.218  0.750  0.006  1.0
  F  F17  1  0.782  0.250  0.994  1.0
  F  F18  1  0.513  0.967  0.192  1.0
  F  F19  1  0.487  0.467  0.808  1.0
  F  F20  1  0.487  0.033  0.808  1.0
  F  F21  1  0.513  0.533  0.192  1.0
[/CIF]
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The material structure described by K2(HF)TiF6 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 11-coordinate geometry to three equivalent F(4), four equivalent F(3), and four equivalent F(5) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(4), two equivalent F(3), and two equivalent F(5) atoms. Ti(1) is bonded in an octahedral geometry to one F(2), one F(4), two equivalent F(3), and two equivalent F(5) atoms. H(1) is bonded in a linear geometry to one F(1) and one F(2) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one K(2) and one H(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one K(2), one Ti(1), and one H(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(1), and one Ti(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one K(2), three equivalent K(1), and one Ti(1) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2TiHF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.189
_cell_length_b   6.173
_cell_length_c   9.186
_cell_angle_alpha   90.000
_cell_angle_beta   99.966
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   345.632
_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  0.243  0.250  0.996  1.0
  K  K1  1  0.757  0.750  0.004  1.0
  K  K2  1  0.181  0.750  0.673  1.0
  K  K3  1  0.819  0.250  0.327  1.0
  Ti  Ti4  1  0.303  0.750  0.214  1.0
  Ti  Ti5  1  0.697  0.250  0.786  1.0
  H  H6  1  0.344  0.250  0.533  1.0
  H  H7  1  0.656  0.750  0.467  1.0
  F  F8  1  0.184  0.250  0.523  1.0
  F  F9  1  0.816  0.750  0.477  1.0
  F  F10  1  0.406  0.750  0.424  1.0
  F  F11  1  0.594  0.250  0.576  1.0
  F  F12  1  0.091  0.535  0.221  1.0
  F  F13  1  0.909  0.035  0.779  1.0
  F  F14  1  0.909  0.465  0.779  1.0
  F  F15  1  0.091  0.965  0.221  1.0
  F  F16  1  0.218  0.750  0.006  1.0
  F  F17  1  0.782  0.250  0.994  1.0
  F  F18  1  0.513  0.967  0.192  1.0
  F  F19  1  0.487  0.467  0.808  1.0
  F  F20  1  0.487  0.033  0.808  1.0
  F  F21  1  0.513  0.533  0.192  1.0
[/CIF]
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