The material structure described by KNaNbOF5 crystallizes in the orthorhombic Pna2_1 space group. K(1) is bonded in a 8-coordinate geometry to one O(1), one F(2), one F(3), one F(4), two equivalent F(1), and two equivalent F(5) atoms. Na(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form NaOF5 octahedra that share corners with four equivalent Nb(1)OF5 octahedra and  an edgeedge with one Nb(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 26-42°. Nb(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form NbOF5 octahedra that share corners with four equivalent Na(1)OF5 octahedra and  an edgeedge with one Na(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 26-42°. O(1) is bonded in a 3-coordinate geometry to one K(1), one Na(1), and one Nb(1) atom. There are five inequivalent F sites. In the first F site, F(5) is bonded to two equivalent K(1), one Na(1), and one Nb(1) atom to form corner-sharing FK2NaNb tetrahedra. In the second F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1), one Na(1), and one Nb(1) atom. In the third F site, F(2) is bonded in a 3-coordinate geometry to one K(1), one Na(1), and one Nb(1) atom. In the fourth F site, F(3) is bonded in a 3-coordinate geometry to one K(1), one Na(1), and one Nb(1) atom. In the fifth F site, F(4) is bonded in a 3-coordinate geometry to one K(1), one Na(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNaNbOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.991
_cell_length_b   8.291
_cell_length_c   12.102
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   601.032
_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  0.032  0.299  0.039  1.0
  K  K1  1  0.968  0.799  0.961  1.0
  K  K2  1  0.468  0.299  0.539  1.0
  K  K3  1  0.532  0.799  0.461  1.0
  Na  Na4  1  0.048  0.046  0.362  1.0
  Na  Na5  1  0.952  0.546  0.638  1.0
  Na  Na6  1  0.452  0.046  0.862  1.0
  Na  Na7  1  0.548  0.546  0.138  1.0
  Nb  Nb8  1  0.541  0.039  0.152  1.0
  Nb  Nb9  1  0.459  0.539  0.848  1.0
  Nb  Nb10  1  0.959  0.039  0.652  1.0
  Nb  Nb11  1  0.041  0.539  0.348  1.0
  O  O12  1  0.401  1.000  0.278  1.0
  O  O13  1  0.599  0.500  0.722  1.0
  O  O14  1  0.099  1.000  0.778  1.0
  O  O15  1  0.901  0.500  0.222  1.0
  F  F16  1  0.285  0.004  0.047  1.0
  F  F17  1  0.715  0.504  0.953  1.0
  F  F18  1  0.215  0.004  0.547  1.0
  F  F19  1  0.785  0.504  0.453  1.0
  F  F20  1  0.464  0.272  0.139  1.0
  F  F21  1  0.536  0.772  0.861  1.0
  F  F22  1  0.036  0.272  0.639  1.0
  F  F23  1  0.964  0.772  0.361  1.0
  F  F24  1  0.336  0.602  0.288  1.0
  F  F25  1  0.664  0.102  0.712  1.0
  F  F26  1  0.164  0.602  0.788  1.0
  F  F27  1  0.836  0.102  0.212  1.0
  F  F28  1  0.148  0.315  0.373  1.0
  F  F29  1  0.852  0.815  0.627  1.0
  F  F30  1  0.352  0.315  0.873  1.0
  F  F31  1  0.648  0.815  0.127  1.0
  F  F32  1  0.283  0.576  0.003  1.0
  F  F33  1  0.717  0.076  0.997  1.0
  F  F34  1  0.217  0.576  0.503  1.0
  F  F35  1  0.783  0.076  0.497  1.0
[/CIF]
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The material structure described by KNaNbOF5 crystallizes in the orthorhombic Pna2_1 space group. K(1) is bonded in a 8-coordinate geometry to one O(1), one F(2), one F(3), one F(4), two equivalent F(1), and two equivalent F(5) atoms. Na(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form NaOF5 octahedra that share corners with four equivalent Nb(1)OF5 octahedra and  an edgeedge with one Nb(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 26-42°. Nb(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form NbOF5 octahedra that share corners with four equivalent Na(1)OF5 octahedra and  an edgeedge with one Na(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 26-42°. O(1) is bonded in a 3-coordinate geometry to one K(1), one Na(1), and one Nb(1) atom. There are five inequivalent F sites. In the first F site, F(5) is bonded to two equivalent K(1), one Na(1), and one Nb(1) atom to form corner-sharing FK2NaNb tetrahedra. In the second F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1), one Na(1), and one Nb(1) atom. In the third F site, F(2) is bonded in a 3-coordinate geometry to one K(1), one Na(1), and one Nb(1) atom. In the fourth F site, F(3) is bonded in a 3-coordinate geometry to one K(1), one Na(1), and one Nb(1) atom. In the fifth F site, F(4) is bonded in a 3-coordinate geometry to one K(1), one Na(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNaNbOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.991
_cell_length_b   8.291
_cell_length_c   12.102
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   601.032
_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  0.032  0.299  0.039  1.0
  K  K1  1  0.968  0.799  0.961  1.0
  K  K2  1  0.468  0.299  0.539  1.0
  K  K3  1  0.532  0.799  0.461  1.0
  Na  Na4  1  0.048  0.046  0.362  1.0
  Na  Na5  1  0.952  0.546  0.638  1.0
  Na  Na6  1  0.452  0.046  0.862  1.0
  Na  Na7  1  0.548  0.546  0.138  1.0
  Nb  Nb8  1  0.541  0.039  0.152  1.0
  Nb  Nb9  1  0.459  0.539  0.848  1.0
  Nb  Nb10  1  0.959  0.039  0.652  1.0
  Nb  Nb11  1  0.041  0.539  0.348  1.0
  O  O12  1  0.401  1.000  0.278  1.0
  O  O13  1  0.599  0.500  0.722  1.0
  O  O14  1  0.099  1.000  0.778  1.0
  O  O15  1  0.901  0.500  0.222  1.0
  F  F16  1  0.285  0.004  0.047  1.0
  F  F17  1  0.715  0.504  0.953  1.0
  F  F18  1  0.215  0.004  0.547  1.0
  F  F19  1  0.785  0.504  0.453  1.0
  F  F20  1  0.464  0.272  0.139  1.0
  F  F21  1  0.536  0.772  0.861  1.0
  F  F22  1  0.036  0.272  0.639  1.0
  F  F23  1  0.964  0.772  0.361  1.0
  F  F24  1  0.336  0.602  0.288  1.0
  F  F25  1  0.664  0.102  0.712  1.0
  F  F26  1  0.164  0.602  0.788  1.0
  F  F27  1  0.836  0.102  0.212  1.0
  F  F28  1  0.148  0.315  0.373  1.0
  F  F29  1  0.852  0.815  0.627  1.0
  F  F30  1  0.352  0.315  0.873  1.0
  F  F31  1  0.648  0.815  0.127  1.0
  F  F32  1  0.283  0.576  0.003  1.0
  F  F33  1  0.717  0.076  0.997  1.0
  F  F34  1  0.217  0.576  0.503  1.0
  F  F35  1  0.783  0.076  0.497  1.0
[/CIF]
.