The crystal structure described by K2Ta2O3F6 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(1), two equivalent F(2), two equivalent F(4), and four equivalent F(3) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one F(2), two equivalent F(1), two equivalent F(3), and four equivalent F(4) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(2), two equivalent O(1), one F(1), and two equivalent F(4) atoms to form corner-sharing TaO3F3 octahedra. The corner-sharing octahedral tilt angles range from 8-28°. In the second Ta site, Ta(2) is bonded to one O(2), two equivalent O(1), one F(2), and two equivalent F(3) atoms to form corner-sharing TaO3F3 octahedra. The corner-sharing octahedral tilt angles range from 8-28°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Ta(1) and one Ta(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ta(1) and one Ta(2) atom. There are four inequivalent F sites. In the first F site, F(2) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Ta(2) atom. In the second F site, F(3) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(1), and one Ta(2) atom. In the third F site, F(4) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Ta(1) atom. In the fourth F site, F(1) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one Ta(1) atom. is represented by the CIF file [CIF]
data_K2Ta2(OF2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.684
_cell_length_b   10.429
_cell_length_c   14.773
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   875.747
_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  0.250  0.243  0.209  1.0
  K  K1  1  0.750  0.757  0.791  1.0
  K  K2  1  0.250  0.743  0.291  1.0
  K  K3  1  0.750  0.257  0.709  1.0
  K  K4  1  0.250  0.443  0.899  1.0
  K  K5  1  0.750  0.557  0.101  1.0
  K  K6  1  0.250  0.943  0.601  1.0
  K  K7  1  0.750  0.057  0.399  1.0
  Ta  Ta8  1  0.250  0.283  0.492  1.0
  Ta  Ta9  1  0.750  0.717  0.508  1.0
  Ta  Ta10  1  0.250  0.783  0.008  1.0
  Ta  Ta11  1  0.750  0.217  0.992  1.0
  Ta  Ta12  1  0.250  0.066  0.853  1.0
  Ta  Ta13  1  0.750  0.934  0.147  1.0
  Ta  Ta14  1  0.250  0.566  0.647  1.0
  Ta  Ta15  1  0.750  0.434  0.353  1.0
  O  O16  1  0.501  0.867  0.072  1.0
  O  O17  1  0.001  0.133  0.928  1.0
  O  O18  1  0.999  0.367  0.428  1.0
  O  O19  1  0.499  0.633  0.572  1.0
  O  O20  1  0.499  0.133  0.928  1.0
  O  O21  1  0.999  0.867  0.072  1.0
  O  O22  1  0.001  0.633  0.572  1.0
  O  O23  1  0.501  0.367  0.428  1.0
  O  O24  1  0.250  0.397  0.594  1.0
  O  O25  1  0.750  0.603  0.406  1.0
  O  O26  1  0.250  0.897  0.906  1.0
  O  O27  1  0.750  0.103  0.094  1.0
  F  F28  1  0.250  0.148  0.395  1.0
  F  F29  1  0.750  0.852  0.605  1.0
  F  F30  1  0.250  0.648  0.105  1.0
  F  F31  1  0.750  0.352  0.895  1.0
  F  F32  1  0.750  0.267  0.285  1.0
  F  F33  1  0.250  0.733  0.715  1.0
  F  F34  1  0.750  0.767  0.215  1.0
  F  F35  1  0.250  0.233  0.785  1.0
  F  F36  1  0.515  0.487  0.260  1.0
  F  F37  1  0.015  0.513  0.740  1.0
  F  F38  1  0.985  0.987  0.240  1.0
  F  F39  1  0.485  0.013  0.760  1.0
  F  F40  1  0.485  0.513  0.740  1.0
  F  F41  1  0.985  0.487  0.260  1.0
  F  F42  1  0.015  0.013  0.760  1.0
  F  F43  1  0.515  0.987  0.240  1.0
  F  F44  1  0.516  0.333  0.052  1.0
  F  F45  1  0.016  0.667  0.948  1.0
  F  F46  1  0.984  0.833  0.448  1.0
  F  F47  1  0.484  0.167  0.552  1.0
  F  F48  1  0.484  0.667  0.948  1.0
  F  F49  1  0.984  0.333  0.052  1.0
  F  F50  1  0.016  0.167  0.552  1.0
  F  F51  1  0.516  0.833  0.448  1.0
[/CIF]
.
The crystal structure described by K2Ta2O3F6 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(1), two equivalent F(2), two equivalent F(4), and four equivalent F(3) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one F(2), two equivalent F(1), two equivalent F(3), and four equivalent F(4) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(2), two equivalent O(1), one F(1), and two equivalent F(4) atoms to form corner-sharing TaO3F3 octahedra. The corner-sharing octahedral tilt angles range from 8-28°. In the second Ta site, Ta(2) is bonded to one O(2), two equivalent O(1), one F(2), and two equivalent F(3) atoms to form corner-sharing TaO3F3 octahedra. The corner-sharing octahedral tilt angles range from 8-28°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Ta(1) and one Ta(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ta(1) and one Ta(2) atom. There are four inequivalent F sites. In the first F site, F(2) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Ta(2) atom. In the second F site, F(3) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(1), and one Ta(2) atom. In the third F site, F(4) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Ta(1) atom. In the fourth F site, F(1) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), and one Ta(1) atom. is represented by the CIF file [CIF]
data_K2Ta2(OF2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.684
_cell_length_b   10.429
_cell_length_c   14.773
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   875.747
_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  0.250  0.243  0.209  1.0
  K  K1  1  0.750  0.757  0.791  1.0
  K  K2  1  0.250  0.743  0.291  1.0
  K  K3  1  0.750  0.257  0.709  1.0
  K  K4  1  0.250  0.443  0.899  1.0
  K  K5  1  0.750  0.557  0.101  1.0
  K  K6  1  0.250  0.943  0.601  1.0
  K  K7  1  0.750  0.057  0.399  1.0
  Ta  Ta8  1  0.250  0.283  0.492  1.0
  Ta  Ta9  1  0.750  0.717  0.508  1.0
  Ta  Ta10  1  0.250  0.783  0.008  1.0
  Ta  Ta11  1  0.750  0.217  0.992  1.0
  Ta  Ta12  1  0.250  0.066  0.853  1.0
  Ta  Ta13  1  0.750  0.934  0.147  1.0
  Ta  Ta14  1  0.250  0.566  0.647  1.0
  Ta  Ta15  1  0.750  0.434  0.353  1.0
  O  O16  1  0.501  0.867  0.072  1.0
  O  O17  1  0.001  0.133  0.928  1.0
  O  O18  1  0.999  0.367  0.428  1.0
  O  O19  1  0.499  0.633  0.572  1.0
  O  O20  1  0.499  0.133  0.928  1.0
  O  O21  1  0.999  0.867  0.072  1.0
  O  O22  1  0.001  0.633  0.572  1.0
  O  O23  1  0.501  0.367  0.428  1.0
  O  O24  1  0.250  0.397  0.594  1.0
  O  O25  1  0.750  0.603  0.406  1.0
  O  O26  1  0.250  0.897  0.906  1.0
  O  O27  1  0.750  0.103  0.094  1.0
  F  F28  1  0.250  0.148  0.395  1.0
  F  F29  1  0.750  0.852  0.605  1.0
  F  F30  1  0.250  0.648  0.105  1.0
  F  F31  1  0.750  0.352  0.895  1.0
  F  F32  1  0.750  0.267  0.285  1.0
  F  F33  1  0.250  0.733  0.715  1.0
  F  F34  1  0.750  0.767  0.215  1.0
  F  F35  1  0.250  0.233  0.785  1.0
  F  F36  1  0.515  0.487  0.260  1.0
  F  F37  1  0.015  0.513  0.740  1.0
  F  F38  1  0.985  0.987  0.240  1.0
  F  F39  1  0.485  0.013  0.760  1.0
  F  F40  1  0.485  0.513  0.740  1.0
  F  F41  1  0.985  0.487  0.260  1.0
  F  F42  1  0.015  0.013  0.760  1.0
  F  F43  1  0.515  0.987  0.240  1.0
  F  F44  1  0.516  0.333  0.052  1.0
  F  F45  1  0.016  0.667  0.948  1.0
  F  F46  1  0.984  0.833  0.448  1.0
  F  F47  1  0.484  0.167  0.552  1.0
  F  F48  1  0.484  0.667  0.948  1.0
  F  F49  1  0.984  0.333  0.052  1.0
  F  F50  1  0.016  0.167  0.552  1.0
  F  F51  1  0.516  0.833  0.448  1.0
[/CIF]
.