The structure described by Na3NbOF6 crystallizes in the orthorhombic P2_12_12_1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form distorted NaOF6 pentagonal bipyramids that share corners with five equivalent Nb(1)OF6 pentagonal bipyramids and  an edgeedge with one Nb(1)OF6 pentagonal bipyramid. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(1), one F(1), one F(4), two equivalent F(5), and two equivalent F(6) atoms. Nb(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form NbOF6 pentagonal bipyramids that share corners with five equivalent Na(1)OF6 pentagonal bipyramids and  an edgeedge with one Na(1)OF6 pentagonal bipyramid. O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Na(3), and one Nb(1) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Na(1), one Na(2), one Na(3), and one Nb(1) atom to form a mixture of corner and edge-sharing FNa3Nb tetrahedra. In the second F site, F(2) is bonded to one Na(1), two equivalent Na(2), and one Nb(1) atom to form distorted corner-sharing FNa3Nb tetrahedra. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and one Nb(1) atom. In the fourth F site, F(4) is bonded in a distorted see-saw-like geometry to one Na(1), one Na(2), one Na(3), and one Nb(1) atom. In the fifth F site, F(5) is bonded to one Na(1), two equivalent Na(3), and one Nb(1) atom to form a mixture of distorted corner and edge-sharing FNa3Nb tetrahedra. In the sixth F site, F(6) is bonded to one Na(1), two equivalent Na(3), and one Nb(1) atom to form a mixture of distorted corner and edge-sharing FNa3Nb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3NbOF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.745
_cell_length_b   5.855
_cell_length_c   17.196
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   578.404
_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
  Na  Na0  1  0.763  0.485  0.625  1.0
  Na  Na1  1  0.764  0.968  0.243  1.0
  Na  Na2  1  0.782  0.992  0.504  1.0
  Na  Na3  1  0.737  0.515  0.125  1.0
  Na  Na4  1  0.718  0.008  0.004  1.0
  Na  Na5  1  0.237  0.985  0.875  1.0
  Na  Na6  1  0.282  0.508  0.496  1.0
  Na  Na7  1  0.236  0.468  0.257  1.0
  Na  Na8  1  0.736  0.032  0.743  1.0
  Na  Na9  1  0.218  0.492  0.996  1.0
  Na  Na10  1  0.263  0.015  0.375  1.0
  Na  Na11  1  0.264  0.532  0.757  1.0
  Nb  Nb12  1  0.747  0.490  0.375  1.0
  Nb  Nb13  1  0.753  0.510  0.875  1.0
  Nb  Nb14  1  0.253  0.990  0.125  1.0
  Nb  Nb15  1  0.247  0.010  0.625  1.0
  O  O16  1  0.986  0.839  0.112  1.0
  O  O17  1  0.486  0.661  0.888  1.0
  O  O18  1  0.014  0.339  0.388  1.0
  O  O19  1  0.514  0.161  0.612  1.0
  F  F20  1  0.581  0.161  0.134  1.0
  F  F21  1  0.656  0.423  0.762  1.0
  F  F22  1  0.919  0.729  0.800  1.0
  F  F23  1  0.874  0.820  0.377  1.0
  F  F24  1  0.271  0.104  0.011  1.0
  F  F25  1  0.081  0.339  0.866  1.0
  F  F26  1  0.344  0.923  0.738  1.0
  F  F27  1  0.081  0.229  0.700  1.0
  F  F28  1  0.156  0.077  0.238  1.0
  F  F29  1  0.919  0.839  0.634  1.0
  F  F30  1  0.729  0.604  0.489  1.0
  F  F31  1  0.946  0.745  0.940  1.0
  F  F32  1  0.844  0.577  0.262  1.0
  F  F33  1  0.419  0.661  0.366  1.0
  F  F34  1  0.771  0.396  0.989  1.0
  F  F35  1  0.054  0.245  0.560  1.0
  F  F36  1  0.581  0.271  0.300  1.0
  F  F37  1  0.446  0.755  0.060  1.0
  F  F38  1  0.126  0.320  0.123  1.0
  F  F39  1  0.554  0.255  0.440  1.0
  F  F40  1  0.374  0.680  0.623  1.0
  F  F41  1  0.419  0.771  0.200  1.0
  F  F42  1  0.626  0.180  0.877  1.0
  F  F43  1  0.229  0.896  0.511  1.0
[/CIF]
.
The structure described by Na3NbOF6 crystallizes in the orthorhombic P2_12_12_1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form distorted NaOF6 pentagonal bipyramids that share corners with five equivalent Nb(1)OF6 pentagonal bipyramids and  an edgeedge with one Nb(1)OF6 pentagonal bipyramid. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(1), one F(1), one F(4), two equivalent F(5), and two equivalent F(6) atoms. Nb(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form NbOF6 pentagonal bipyramids that share corners with five equivalent Na(1)OF6 pentagonal bipyramids and  an edgeedge with one Na(1)OF6 pentagonal bipyramid. O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Na(3), and one Nb(1) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Na(1), one Na(2), one Na(3), and one Nb(1) atom to form a mixture of corner and edge-sharing FNa3Nb tetrahedra. In the second F site, F(2) is bonded to one Na(1), two equivalent Na(2), and one Nb(1) atom to form distorted corner-sharing FNa3Nb tetrahedra. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and one Nb(1) atom. In the fourth F site, F(4) is bonded in a distorted see-saw-like geometry to one Na(1), one Na(2), one Na(3), and one Nb(1) atom. In the fifth F site, F(5) is bonded to one Na(1), two equivalent Na(3), and one Nb(1) atom to form a mixture of distorted corner and edge-sharing FNa3Nb tetrahedra. In the sixth F site, F(6) is bonded to one Na(1), two equivalent Na(3), and one Nb(1) atom to form a mixture of distorted corner and edge-sharing FNa3Nb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3NbOF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.745
_cell_length_b   5.855
_cell_length_c   17.196
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   578.404
_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
  Na  Na0  1  0.763  0.485  0.625  1.0
  Na  Na1  1  0.764  0.968  0.243  1.0
  Na  Na2  1  0.782  0.992  0.504  1.0
  Na  Na3  1  0.737  0.515  0.125  1.0
  Na  Na4  1  0.718  0.008  0.004  1.0
  Na  Na5  1  0.237  0.985  0.875  1.0
  Na  Na6  1  0.282  0.508  0.496  1.0
  Na  Na7  1  0.236  0.468  0.257  1.0
  Na  Na8  1  0.736  0.032  0.743  1.0
  Na  Na9  1  0.218  0.492  0.996  1.0
  Na  Na10  1  0.263  0.015  0.375  1.0
  Na  Na11  1  0.264  0.532  0.757  1.0
  Nb  Nb12  1  0.747  0.490  0.375  1.0
  Nb  Nb13  1  0.753  0.510  0.875  1.0
  Nb  Nb14  1  0.253  0.990  0.125  1.0
  Nb  Nb15  1  0.247  0.010  0.625  1.0
  O  O16  1  0.986  0.839  0.112  1.0
  O  O17  1  0.486  0.661  0.888  1.0
  O  O18  1  0.014  0.339  0.388  1.0
  O  O19  1  0.514  0.161  0.612  1.0
  F  F20  1  0.581  0.161  0.134  1.0
  F  F21  1  0.656  0.423  0.762  1.0
  F  F22  1  0.919  0.729  0.800  1.0
  F  F23  1  0.874  0.820  0.377  1.0
  F  F24  1  0.271  0.104  0.011  1.0
  F  F25  1  0.081  0.339  0.866  1.0
  F  F26  1  0.344  0.923  0.738  1.0
  F  F27  1  0.081  0.229  0.700  1.0
  F  F28  1  0.156  0.077  0.238  1.0
  F  F29  1  0.919  0.839  0.634  1.0
  F  F30  1  0.729  0.604  0.489  1.0
  F  F31  1  0.946  0.745  0.940  1.0
  F  F32  1  0.844  0.577  0.262  1.0
  F  F33  1  0.419  0.661  0.366  1.0
  F  F34  1  0.771  0.396  0.989  1.0
  F  F35  1  0.054  0.245  0.560  1.0
  F  F36  1  0.581  0.271  0.300  1.0
  F  F37  1  0.446  0.755  0.060  1.0
  F  F38  1  0.126  0.320  0.123  1.0
  F  F39  1  0.554  0.255  0.440  1.0
  F  F40  1  0.374  0.680  0.623  1.0
  F  F41  1  0.419  0.771  0.200  1.0
  F  F42  1  0.626  0.180  0.877  1.0
  F  F43  1  0.229  0.896  0.511  1.0
[/CIF]
.