The crystal structure described by K4Ti2H2O5F8 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 11-coordinate geometry to one H(1), one O(1), one O(2), one O(3), one F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one H(1), two equivalent O(1), two equivalent O(2), one F(2), one F(3), and two equivalent F(1) atoms. Ti(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and two equivalent F(4) atoms to form edge-sharing TiO2F5 pentagonal bipyramids. H(1) is bonded in a single-bond geometry to one K(1), one K(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one K(1), two equivalent K(2), one Ti(1), and one O(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one Ti(1), and one O(1) atom. In the third O site, O(3) is bonded in a water-like geometry to two equivalent K(1) and two equivalent H(1) atoms. There are four inequivalent F sites. In the first F site, F(4) is bonded in a 3-coordinate geometry to two equivalent K(1) and two equivalent Ti(1) atoms. In the second F site, F(1) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one Ti(1) atom. In the third F site, F(2) is bonded to one K(2), two equivalent K(1), and one Ti(1) atom to form distorted edge-sharing FK3Ti tetrahedra. In the fourth 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. is represented by the CIF file [CIF]
data_K4Ti2H2O5F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.291
_cell_length_b   9.291
_cell_length_c   12.596
_cell_angle_alpha   63.321
_cell_angle_beta   63.321
_cell_angle_gamma   41.673
_symmetry_Int_Tables_number   1
_cell_volume   634.061
_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  0.956  0.410  0.171  1.0
  K  K1  1  0.590  0.044  0.329  1.0
  K  K2  1  0.044  0.590  0.829  1.0
  K  K3  1  0.410  0.956  0.671  1.0
  K  K4  1  0.825  0.315  0.864  1.0
  K  K5  1  0.685  0.175  0.636  1.0
  K  K6  1  0.175  0.685  0.136  1.0
  K  K7  1  0.315  0.825  0.364  1.0
  Ti  Ti8  1  0.001  0.659  0.532  1.0
  Ti  Ti9  1  0.341  0.999  0.968  1.0
  Ti  Ti10  1  0.999  0.341  0.468  1.0
  Ti  Ti11  1  0.659  0.001  0.032  1.0
  H  H12  1  0.457  0.596  0.680  1.0
  H  H13  1  0.404  0.543  0.820  1.0
  H  H14  1  0.543  0.404  0.320  1.0
  H  H15  1  0.596  0.457  0.180  1.0
  O  O16  1  0.529  0.259  0.072  1.0
  O  O17  1  0.741  0.471  0.428  1.0
  O  O18  1  0.471  0.741  0.928  1.0
  O  O19  1  0.259  0.529  0.572  1.0
  O  O20  1  0.765  0.077  0.076  1.0
  O  O21  1  0.923  0.235  0.424  1.0
  O  O22  1  0.235  0.923  0.924  1.0
  O  O23  1  0.077  0.765  0.576  1.0
  O  O24  1  0.342  0.658  0.750  1.0
  O  O25  1  0.658  0.342  0.250  1.0
  F  F26  1  0.718  0.095  0.862  1.0
  F  F27  1  0.905  0.282  0.638  1.0
  F  F28  1  0.282  0.905  0.138  1.0
  F  F29  1  0.095  0.718  0.362  1.0
  F  F30  1  0.968  0.718  0.022  1.0
  F  F31  1  0.282  0.032  0.478  1.0
  F  F32  1  0.032  0.282  0.978  1.0
  F  F33  1  0.718  0.968  0.522  1.0
  F  F34  1  0.599  0.874  0.194  1.0
  F  F35  1  0.126  0.401  0.306  1.0
  F  F36  1  0.401  0.126  0.806  1.0
  F  F37  1  0.874  0.599  0.694  1.0
  F  F38  1  0.346  0.192  0.015  1.0
  F  F39  1  0.808  0.654  0.485  1.0
  F  F40  1  0.654  0.808  0.985  1.0
  F  F41  1  0.192  0.346  0.515  1.0
[/CIF]
.
The crystal structure described by K4Ti2H2O5F8 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 11-coordinate geometry to one H(1), one O(1), one O(2), one O(3), one F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one H(1), two equivalent O(1), two equivalent O(2), one F(2), one F(3), and two equivalent F(1) atoms. Ti(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and two equivalent F(4) atoms to form edge-sharing TiO2F5 pentagonal bipyramids. H(1) is bonded in a single-bond geometry to one K(1), one K(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one K(1), two equivalent K(2), one Ti(1), and one O(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one Ti(1), and one O(1) atom. In the third O site, O(3) is bonded in a water-like geometry to two equivalent K(1) and two equivalent H(1) atoms. There are four inequivalent F sites. In the first F site, F(4) is bonded in a 3-coordinate geometry to two equivalent K(1) and two equivalent Ti(1) atoms. In the second F site, F(1) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one Ti(1) atom. In the third F site, F(2) is bonded to one K(2), two equivalent K(1), and one Ti(1) atom to form distorted edge-sharing FK3Ti tetrahedra. In the fourth 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. is represented by the CIF file [CIF]
data_K4Ti2H2O5F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.291
_cell_length_b   9.291
_cell_length_c   12.596
_cell_angle_alpha   63.321
_cell_angle_beta   63.321
_cell_angle_gamma   41.673
_symmetry_Int_Tables_number   1
_cell_volume   634.061
_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  0.956  0.410  0.171  1.0
  K  K1  1  0.590  0.044  0.329  1.0
  K  K2  1  0.044  0.590  0.829  1.0
  K  K3  1  0.410  0.956  0.671  1.0
  K  K4  1  0.825  0.315  0.864  1.0
  K  K5  1  0.685  0.175  0.636  1.0
  K  K6  1  0.175  0.685  0.136  1.0
  K  K7  1  0.315  0.825  0.364  1.0
  Ti  Ti8  1  0.001  0.659  0.532  1.0
  Ti  Ti9  1  0.341  0.999  0.968  1.0
  Ti  Ti10  1  0.999  0.341  0.468  1.0
  Ti  Ti11  1  0.659  0.001  0.032  1.0
  H  H12  1  0.457  0.596  0.680  1.0
  H  H13  1  0.404  0.543  0.820  1.0
  H  H14  1  0.543  0.404  0.320  1.0
  H  H15  1  0.596  0.457  0.180  1.0
  O  O16  1  0.529  0.259  0.072  1.0
  O  O17  1  0.741  0.471  0.428  1.0
  O  O18  1  0.471  0.741  0.928  1.0
  O  O19  1  0.259  0.529  0.572  1.0
  O  O20  1  0.765  0.077  0.076  1.0
  O  O21  1  0.923  0.235  0.424  1.0
  O  O22  1  0.235  0.923  0.924  1.0
  O  O23  1  0.077  0.765  0.576  1.0
  O  O24  1  0.342  0.658  0.750  1.0
  O  O25  1  0.658  0.342  0.250  1.0
  F  F26  1  0.718  0.095  0.862  1.0
  F  F27  1  0.905  0.282  0.638  1.0
  F  F28  1  0.282  0.905  0.138  1.0
  F  F29  1  0.095  0.718  0.362  1.0
  F  F30  1  0.968  0.718  0.022  1.0
  F  F31  1  0.282  0.032  0.478  1.0
  F  F32  1  0.032  0.282  0.978  1.0
  F  F33  1  0.718  0.968  0.522  1.0
  F  F34  1  0.599  0.874  0.194  1.0
  F  F35  1  0.126  0.401  0.306  1.0
  F  F36  1  0.401  0.126  0.806  1.0
  F  F37  1  0.874  0.599  0.694  1.0
  F  F38  1  0.346  0.192  0.015  1.0
  F  F39  1  0.808  0.654  0.485  1.0
  F  F40  1  0.654  0.808  0.985  1.0
  F  F41  1  0.192  0.346  0.515  1.0
[/CIF]
.