The crystal structure described by KTeOF3 crystallizes in the tetragonal P4_2/n space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to four equivalent F(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. In the third K site, K(3) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Te(1) is bonded to two equivalent O(1), one F(1), one F(2), and one F(3) atom to form edge-sharing TeO2F3 square pyramids. O(1) is bonded in a 3-coordinate geometry to one K(3) and two equivalent Te(1) atoms. There are three inequivalent F sites. In the first F site, F(3) is bonded in a water-like geometry to one K(3) and one Te(1) atom. In the second F site, F(1) is bonded in a 3-coordinate geometry to one K(2), one K(3), and one Te(1) atom. In the third F site, F(2) is bonded to one K(1), one K(2), one K(3), and one Te(1) atom to form a mixture of distorted edge and corner-sharing FK3Te tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KTeOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.313
_cell_length_b   10.313
_cell_length_c   8.043
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   855.437
_cell_formula_units_Z   8
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  0.500  0.500  0.500  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  K  K2  1  0.500  0.500  0.000  1.0
  K  K3  1  0.000  0.000  0.500  1.0
  K  K4  1  0.750  0.250  0.250  1.0
  K  K5  1  0.250  0.750  0.250  1.0
  K  K6  1  0.250  0.250  0.750  1.0
  K  K7  1  0.750  0.750  0.750  1.0
  Te  Te8  1  0.657  0.867  0.210  1.0
  Te  Te9  1  0.133  0.657  0.790  1.0
  Te  Te10  1  0.843  0.633  0.290  1.0
  Te  Te11  1  0.367  0.843  0.710  1.0
  Te  Te12  1  0.867  0.343  0.790  1.0
  Te  Te13  1  0.633  0.157  0.710  1.0
  Te  Te14  1  0.343  0.133  0.210  1.0
  Te  Te15  1  0.157  0.367  0.290  1.0
  O  O16  1  0.254  0.722  0.599  1.0
  O  O17  1  0.246  0.778  0.901  1.0
  O  O18  1  0.278  0.254  0.401  1.0
  O  O19  1  0.778  0.754  0.099  1.0
  O  O20  1  0.754  0.222  0.901  1.0
  O  O21  1  0.222  0.246  0.099  1.0
  O  O22  1  0.746  0.278  0.599  1.0
  O  O23  1  0.722  0.746  0.401  1.0
  F  F24  1  0.514  0.739  0.147  1.0
  F  F25  1  0.995  0.185  0.763  1.0
  F  F26  1  0.986  0.761  0.353  1.0
  F  F27  1  0.185  0.005  0.237  1.0
  F  F28  1  0.761  0.014  0.647  1.0
  F  F29  1  0.486  0.261  0.147  1.0
  F  F30  1  0.315  0.495  0.263  1.0
  F  F31  1  0.505  0.315  0.737  1.0
  F  F32  1  0.062  0.640  0.026  1.0
  F  F33  1  0.005  0.815  0.763  1.0
  F  F34  1  0.938  0.360  0.026  1.0
  F  F35  1  0.640  0.938  0.974  1.0
  F  F36  1  0.562  0.140  0.474  1.0
  F  F37  1  0.140  0.438  0.526  1.0
  F  F38  1  0.860  0.562  0.526  1.0
  F  F39  1  0.239  0.986  0.647  1.0
  F  F40  1  0.438  0.860  0.474  1.0
  F  F41  1  0.360  0.062  0.974  1.0
  F  F42  1  0.685  0.505  0.263  1.0
  F  F43  1  0.261  0.514  0.853  1.0
  F  F44  1  0.739  0.486  0.853  1.0
  F  F45  1  0.014  0.239  0.353  1.0
  F  F46  1  0.815  0.995  0.237  1.0
  F  F47  1  0.495  0.685  0.737  1.0
[/CIF]
.
The crystal structure described by KTeOF3 crystallizes in the tetragonal P4_2/n space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to four equivalent F(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. In the third K site, K(3) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Te(1) is bonded to two equivalent O(1), one F(1), one F(2), and one F(3) atom to form edge-sharing TeO2F3 square pyramids. O(1) is bonded in a 3-coordinate geometry to one K(3) and two equivalent Te(1) atoms. There are three inequivalent F sites. In the first F site, F(3) is bonded in a water-like geometry to one K(3) and one Te(1) atom. In the second F site, F(1) is bonded in a 3-coordinate geometry to one K(2), one K(3), and one Te(1) atom. In the third F site, F(2) is bonded to one K(1), one K(2), one K(3), and one Te(1) atom to form a mixture of distorted edge and corner-sharing FK3Te tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KTeOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.313
_cell_length_b   10.313
_cell_length_c   8.043
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   855.437
_cell_formula_units_Z   8
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  0.500  0.500  0.500  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  K  K2  1  0.500  0.500  0.000  1.0
  K  K3  1  0.000  0.000  0.500  1.0
  K  K4  1  0.750  0.250  0.250  1.0
  K  K5  1  0.250  0.750  0.250  1.0
  K  K6  1  0.250  0.250  0.750  1.0
  K  K7  1  0.750  0.750  0.750  1.0
  Te  Te8  1  0.657  0.867  0.210  1.0
  Te  Te9  1  0.133  0.657  0.790  1.0
  Te  Te10  1  0.843  0.633  0.290  1.0
  Te  Te11  1  0.367  0.843  0.710  1.0
  Te  Te12  1  0.867  0.343  0.790  1.0
  Te  Te13  1  0.633  0.157  0.710  1.0
  Te  Te14  1  0.343  0.133  0.210  1.0
  Te  Te15  1  0.157  0.367  0.290  1.0
  O  O16  1  0.254  0.722  0.599  1.0
  O  O17  1  0.246  0.778  0.901  1.0
  O  O18  1  0.278  0.254  0.401  1.0
  O  O19  1  0.778  0.754  0.099  1.0
  O  O20  1  0.754  0.222  0.901  1.0
  O  O21  1  0.222  0.246  0.099  1.0
  O  O22  1  0.746  0.278  0.599  1.0
  O  O23  1  0.722  0.746  0.401  1.0
  F  F24  1  0.514  0.739  0.147  1.0
  F  F25  1  0.995  0.185  0.763  1.0
  F  F26  1  0.986  0.761  0.353  1.0
  F  F27  1  0.185  0.005  0.237  1.0
  F  F28  1  0.761  0.014  0.647  1.0
  F  F29  1  0.486  0.261  0.147  1.0
  F  F30  1  0.315  0.495  0.263  1.0
  F  F31  1  0.505  0.315  0.737  1.0
  F  F32  1  0.062  0.640  0.026  1.0
  F  F33  1  0.005  0.815  0.763  1.0
  F  F34  1  0.938  0.360  0.026  1.0
  F  F35  1  0.640  0.938  0.974  1.0
  F  F36  1  0.562  0.140  0.474  1.0
  F  F37  1  0.140  0.438  0.526  1.0
  F  F38  1  0.860  0.562  0.526  1.0
  F  F39  1  0.239  0.986  0.647  1.0
  F  F40  1  0.438  0.860  0.474  1.0
  F  F41  1  0.360  0.062  0.974  1.0
  F  F42  1  0.685  0.505  0.263  1.0
  F  F43  1  0.261  0.514  0.853  1.0
  F  F44  1  0.739  0.486  0.853  1.0
  F  F45  1  0.014  0.239  0.353  1.0
  F  F46  1  0.815  0.995  0.237  1.0
  F  F47  1  0.495  0.685  0.737  1.0
[/CIF]
.