The crystal structure described by K3TaO2F7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to four equivalent F(5) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(1), one F(1), one F(2), one F(4), two equivalent F(3), and two equivalent F(5) atoms. Ta(1) is bonded in a distorted pentagonal bipyramidal geometry to two equivalent O(1), one F(1), one F(2), one F(4), and two equivalent F(3) atoms. O(1) is bonded in a 3-coordinate geometry to one K(2), one Ta(1), and one O(1) atom. There are five inequivalent F sites. In the first F site, F(3) is bonded in a single-bond geometry to two equivalent K(2) and one Ta(1) atom. In the second F site, F(4) is bonded in a distorted single-bond geometry to two equivalent K(2) and one Ta(1) atom. In the third F site, F(5) is bonded to two equivalent K(1) and two equivalent K(2) atoms to form a mixture of distorted corner and edge-sharing FK4 trigonal pyramids. In the fourth F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent K(2) and one Ta(1) atom. In the fifth F site, F(2) is bonded in a distorted single-bond geometry to two equivalent K(2) and one Ta(1) atom. is represented by the CIF file [CIF]
data_K3TaO2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.245
_cell_length_b   9.767
_cell_length_c   14.067
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   995.446
_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  0.265  0.750  0.173  1.0
  K  K1  1  0.765  0.750  0.327  1.0
  K  K2  1  0.735  0.250  0.827  1.0
  K  K3  1  0.235  0.250  0.673  1.0
  K  K4  1  0.282  0.984  0.848  1.0
  K  K5  1  0.782  0.516  0.652  1.0
  K  K6  1  0.718  0.484  0.152  1.0
  K  K7  1  0.218  0.016  0.348  1.0
  K  K8  1  0.718  0.016  0.152  1.0
  K  K9  1  0.218  0.484  0.348  1.0
  K  K10  1  0.282  0.516  0.848  1.0
  K  K11  1  0.782  0.984  0.652  1.0
  Ta  Ta12  1  0.211  0.750  0.572  1.0
  Ta  Ta13  1  0.711  0.750  0.928  1.0
  Ta  Ta14  1  0.789  0.250  0.428  1.0
  Ta  Ta15  1  0.289  0.250  0.072  1.0
  O  O16  1  0.487  0.819  0.556  1.0
  O  O17  1  0.987  0.681  0.944  1.0
  O  O18  1  0.513  0.319  0.444  1.0
  O  O19  1  0.013  0.181  0.056  1.0
  O  O20  1  0.513  0.181  0.444  1.0
  O  O21  1  0.013  0.319  0.056  1.0
  O  O22  1  0.487  0.681  0.556  1.0
  O  O23  1  0.987  0.819  0.944  1.0
  F  F24  1  0.944  0.750  0.587  1.0
  F  F25  1  0.444  0.750  0.913  1.0
  F  F26  1  0.056  0.250  0.413  1.0
  F  F27  1  0.556  0.250  0.087  1.0
  F  F28  1  0.254  0.750  0.707  1.0
  F  F29  1  0.754  0.750  0.793  1.0
  F  F30  1  0.746  0.250  0.293  1.0
  F  F31  1  0.246  0.250  0.207  1.0
  F  F32  1  0.166  0.947  0.568  1.0
  F  F33  1  0.666  0.553  0.932  1.0
  F  F34  1  0.834  0.447  0.432  1.0
  F  F35  1  0.334  0.053  0.068  1.0
  F  F36  1  0.834  0.053  0.432  1.0
  F  F37  1  0.334  0.447  0.068  1.0
  F  F38  1  0.166  0.553  0.568  1.0
  F  F39  1  0.666  0.947  0.932  1.0
  F  F40  1  0.196  0.750  0.435  1.0
  F  F41  1  0.696  0.750  0.065  1.0
  F  F42  1  0.804  0.250  0.565  1.0
  F  F43  1  0.304  0.250  0.935  1.0
  F  F44  1  0.501  0.414  0.729  1.0
  F  F45  1  0.001  0.086  0.771  1.0
  F  F46  1  0.499  0.914  0.271  1.0
  F  F47  1  0.999  0.586  0.229  1.0
  F  F48  1  0.499  0.586  0.271  1.0
  F  F49  1  0.999  0.914  0.229  1.0
  F  F50  1  0.501  0.086  0.729  1.0
  F  F51  1  0.001  0.414  0.771  1.0
[/CIF]
.
The crystal structure described by K3TaO2F7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to four equivalent F(5) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(1), one F(1), one F(2), one F(4), two equivalent F(3), and two equivalent F(5) atoms. Ta(1) is bonded in a distorted pentagonal bipyramidal geometry to two equivalent O(1), one F(1), one F(2), one F(4), and two equivalent F(3) atoms. O(1) is bonded in a 3-coordinate geometry to one K(2), one Ta(1), and one O(1) atom. There are five inequivalent F sites. In the first F site, F(3) is bonded in a single-bond geometry to two equivalent K(2) and one Ta(1) atom. In the second F site, F(4) is bonded in a distorted single-bond geometry to two equivalent K(2) and one Ta(1) atom. In the third F site, F(5) is bonded to two equivalent K(1) and two equivalent K(2) atoms to form a mixture of distorted corner and edge-sharing FK4 trigonal pyramids. In the fourth F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent K(2) and one Ta(1) atom. In the fifth F site, F(2) is bonded in a distorted single-bond geometry to two equivalent K(2) and one Ta(1) atom. is represented by the CIF file [CIF]
data_K3TaO2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.245
_cell_length_b   9.767
_cell_length_c   14.067
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   995.446
_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  0.265  0.750  0.173  1.0
  K  K1  1  0.765  0.750  0.327  1.0
  K  K2  1  0.735  0.250  0.827  1.0
  K  K3  1  0.235  0.250  0.673  1.0
  K  K4  1  0.282  0.984  0.848  1.0
  K  K5  1  0.782  0.516  0.652  1.0
  K  K6  1  0.718  0.484  0.152  1.0
  K  K7  1  0.218  0.016  0.348  1.0
  K  K8  1  0.718  0.016  0.152  1.0
  K  K9  1  0.218  0.484  0.348  1.0
  K  K10  1  0.282  0.516  0.848  1.0
  K  K11  1  0.782  0.984  0.652  1.0
  Ta  Ta12  1  0.211  0.750  0.572  1.0
  Ta  Ta13  1  0.711  0.750  0.928  1.0
  Ta  Ta14  1  0.789  0.250  0.428  1.0
  Ta  Ta15  1  0.289  0.250  0.072  1.0
  O  O16  1  0.487  0.819  0.556  1.0
  O  O17  1  0.987  0.681  0.944  1.0
  O  O18  1  0.513  0.319  0.444  1.0
  O  O19  1  0.013  0.181  0.056  1.0
  O  O20  1  0.513  0.181  0.444  1.0
  O  O21  1  0.013  0.319  0.056  1.0
  O  O22  1  0.487  0.681  0.556  1.0
  O  O23  1  0.987  0.819  0.944  1.0
  F  F24  1  0.944  0.750  0.587  1.0
  F  F25  1  0.444  0.750  0.913  1.0
  F  F26  1  0.056  0.250  0.413  1.0
  F  F27  1  0.556  0.250  0.087  1.0
  F  F28  1  0.254  0.750  0.707  1.0
  F  F29  1  0.754  0.750  0.793  1.0
  F  F30  1  0.746  0.250  0.293  1.0
  F  F31  1  0.246  0.250  0.207  1.0
  F  F32  1  0.166  0.947  0.568  1.0
  F  F33  1  0.666  0.553  0.932  1.0
  F  F34  1  0.834  0.447  0.432  1.0
  F  F35  1  0.334  0.053  0.068  1.0
  F  F36  1  0.834  0.053  0.432  1.0
  F  F37  1  0.334  0.447  0.068  1.0
  F  F38  1  0.166  0.553  0.568  1.0
  F  F39  1  0.666  0.947  0.932  1.0
  F  F40  1  0.196  0.750  0.435  1.0
  F  F41  1  0.696  0.750  0.065  1.0
  F  F42  1  0.804  0.250  0.565  1.0
  F  F43  1  0.304  0.250  0.935  1.0
  F  F44  1  0.501  0.414  0.729  1.0
  F  F45  1  0.001  0.086  0.771  1.0
  F  F46  1  0.499  0.914  0.271  1.0
  F  F47  1  0.999  0.586  0.229  1.0
  F  F48  1  0.499  0.586  0.271  1.0
  F  F49  1  0.999  0.914  0.229  1.0
  F  F50  1  0.501  0.086  0.729  1.0
  F  F51  1  0.001  0.414  0.771  1.0
[/CIF]
.