The structure described by K2TiO3F4 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 10-coordinate geometry to 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 O(3), two equivalent O(1), two equivalent O(2), one F(3), one F(4), and two equivalent F(1) atoms. Ti(1) is bonded to one O(1), one O(2), one F(1), one F(3), one F(4), and two equivalent F(2) atoms to form edge-sharing TiO2F5 pentagonal bipyramids. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one O(3) atom. In the second O site, O(1) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one Ti(1), and one O(2) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one K(1), two equivalent K(2), one Ti(1), and one O(1) atom. There are four 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 distorted edge-sharing FK3Ti tetrahedra. In the second F site, F(1) is bonded in a 1-coordinate geometry to one K(1), two equivalent K(2), and one Ti(1) atom. In the third F site, F(2) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Ti(1) atoms. In the fourth F site, F(3) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Ti(1) atom. is represented by the CIF file [CIF]
data_K2TiO3F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.347
_cell_length_b   9.347
_cell_length_c   12.402
_cell_angle_alpha   65.623
_cell_angle_beta   65.623
_cell_angle_gamma   41.852
_symmetry_Int_Tables_number   1
_cell_volume   648.485
_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  0.423  0.959  0.663  1.0
  K  K1  1  0.041  0.577  0.837  1.0
  K  K2  1  0.577  0.041  0.337  1.0
  K  K3  1  0.959  0.423  0.163  1.0
  K  K4  1  0.678  0.192  0.636  1.0
  K  K5  1  0.808  0.322  0.864  1.0
  K  K6  1  0.322  0.808  0.364  1.0
  K  K7  1  0.192  0.678  0.136  1.0
  Ti  Ti8  1  0.340  1.000  0.966  1.0
  Ti  Ti9  1  0.000  0.660  0.534  1.0
  Ti  Ti10  1  0.660  0.000  0.034  1.0
  Ti  Ti11  1  1.000  0.340  0.466  1.0
  O  O12  1  0.239  0.922  0.916  1.0
  O  O13  1  0.078  0.761  0.584  1.0
  O  O14  1  0.761  0.078  0.084  1.0
  O  O15  1  0.922  0.239  0.416  1.0
  O  O16  1  0.471  0.744  0.923  1.0
  O  O17  1  0.256  0.529  0.577  1.0
  O  O18  1  0.529  0.256  0.077  1.0
  O  O19  1  0.744  0.471  0.423  1.0
  O  O20  1  0.386  0.666  0.696  1.0
  O  O21  1  0.334  0.614  0.804  1.0
  O  O22  1  0.614  0.334  0.304  1.0
  O  O23  1  0.666  0.386  0.196  1.0
  F  F24  1  0.729  0.077  0.865  1.0
  F  F25  1  0.923  0.271  0.635  1.0
  F  F26  1  0.271  0.923  0.135  1.0
  F  F27  1  0.077  0.729  0.365  1.0
  F  F28  1  0.651  0.811  0.984  1.0
  F  F29  1  0.189  0.349  0.516  1.0
  F  F30  1  0.349  0.189  0.016  1.0
  F  F31  1  0.811  0.651  0.484  1.0
  F  F32  1  0.399  0.123  0.808  1.0
  F  F33  1  0.877  0.601  0.692  1.0
  F  F34  1  0.601  0.877  0.192  1.0
  F  F35  1  0.123  0.399  0.308  1.0
  F  F36  1  0.721  0.966  0.527  1.0
  F  F37  1  0.034  0.279  0.973  1.0
  F  F38  1  0.279  0.034  0.473  1.0
  F  F39  1  0.966  0.721  0.027  1.0
[/CIF]
.
The structure described by K2TiO3F4 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 10-coordinate geometry to 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 O(3), two equivalent O(1), two equivalent O(2), one F(3), one F(4), and two equivalent F(1) atoms. Ti(1) is bonded to one O(1), one O(2), one F(1), one F(3), one F(4), and two equivalent F(2) atoms to form edge-sharing TiO2F5 pentagonal bipyramids. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one O(3) atom. In the second O site, O(1) is bonded in a 5-coordinate geometry to one K(1), two equivalent K(2), one Ti(1), and one O(2) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one K(1), two equivalent K(2), one Ti(1), and one O(1) atom. There are four 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 distorted edge-sharing FK3Ti tetrahedra. In the second F site, F(1) is bonded in a 1-coordinate geometry to one K(1), two equivalent K(2), and one Ti(1) atom. In the third F site, F(2) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Ti(1) atoms. In the fourth F site, F(3) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Ti(1) atom. is represented by the CIF file [CIF]
data_K2TiO3F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.347
_cell_length_b   9.347
_cell_length_c   12.402
_cell_angle_alpha   65.623
_cell_angle_beta   65.623
_cell_angle_gamma   41.852
_symmetry_Int_Tables_number   1
_cell_volume   648.485
_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  0.423  0.959  0.663  1.0
  K  K1  1  0.041  0.577  0.837  1.0
  K  K2  1  0.577  0.041  0.337  1.0
  K  K3  1  0.959  0.423  0.163  1.0
  K  K4  1  0.678  0.192  0.636  1.0
  K  K5  1  0.808  0.322  0.864  1.0
  K  K6  1  0.322  0.808  0.364  1.0
  K  K7  1  0.192  0.678  0.136  1.0
  Ti  Ti8  1  0.340  1.000  0.966  1.0
  Ti  Ti9  1  0.000  0.660  0.534  1.0
  Ti  Ti10  1  0.660  0.000  0.034  1.0
  Ti  Ti11  1  1.000  0.340  0.466  1.0
  O  O12  1  0.239  0.922  0.916  1.0
  O  O13  1  0.078  0.761  0.584  1.0
  O  O14  1  0.761  0.078  0.084  1.0
  O  O15  1  0.922  0.239  0.416  1.0
  O  O16  1  0.471  0.744  0.923  1.0
  O  O17  1  0.256  0.529  0.577  1.0
  O  O18  1  0.529  0.256  0.077  1.0
  O  O19  1  0.744  0.471  0.423  1.0
  O  O20  1  0.386  0.666  0.696  1.0
  O  O21  1  0.334  0.614  0.804  1.0
  O  O22  1  0.614  0.334  0.304  1.0
  O  O23  1  0.666  0.386  0.196  1.0
  F  F24  1  0.729  0.077  0.865  1.0
  F  F25  1  0.923  0.271  0.635  1.0
  F  F26  1  0.271  0.923  0.135  1.0
  F  F27  1  0.077  0.729  0.365  1.0
  F  F28  1  0.651  0.811  0.984  1.0
  F  F29  1  0.189  0.349  0.516  1.0
  F  F30  1  0.349  0.189  0.016  1.0
  F  F31  1  0.811  0.651  0.484  1.0
  F  F32  1  0.399  0.123  0.808  1.0
  F  F33  1  0.877  0.601  0.692  1.0
  F  F34  1  0.601  0.877  0.192  1.0
  F  F35  1  0.123  0.399  0.308  1.0
  F  F36  1  0.721  0.966  0.527  1.0
  F  F37  1  0.034  0.279  0.973  1.0
  F  F38  1  0.279  0.034  0.473  1.0
  F  F39  1  0.966  0.721  0.027  1.0
[/CIF]
.