The structure described by Na2NbO3F5 crystallizes in the orthorhombic Pca2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(3), one F(3), one F(4), two equivalent F(2), and two equivalent F(5) atoms to form distorted NaOF6 hexagonal pyramids that share corners with two equivalent Nb(1)O2F5 pentagonal bipyramids, edges with two equivalent Na(1)OF6 hexagonal pyramids, and edges with two equivalent Nb(1)O2F5 pentagonal bipyramids. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one F(1), one F(2), one F(3), one F(4), and one F(5) atom. Nb(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form distorted NbO2F5 pentagonal bipyramids that share corners with two equivalent Na(1)OF6 hexagonal pyramids and edges with two equivalent Na(1)OF6 hexagonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(2), one Nb(1), and one O(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Nb(1), and one O(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Na(1) atom. There are five inequivalent F sites. In the first F site, F(3) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one Nb(1) atom. In the second F site, F(4) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one Nb(1) atom. In the third F site, F(5) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one Nb(1) atom. In the fourth F site, F(1) is bonded in a bent 150 degrees geometry to one Na(2) and one Nb(1) atom. In the fifth F site, F(2) is bonded to one Na(2), two equivalent Na(1), and one Nb(1) atom to form corner-sharing FNa3Nb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2NbO3F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.745
_cell_length_b   8.299
_cell_length_c   10.417
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   669.580
_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  0.041  0.501  0.750  1.0
  Na  Na1  1  0.959  0.001  0.250  1.0
  Na  Na2  1  0.959  0.501  0.250  1.0
  Na  Na3  1  0.041  0.001  0.750  1.0
  Na  Na4  1  0.759  0.251  0.966  1.0
  Na  Na5  1  0.241  0.751  0.034  1.0
  Na  Na6  1  0.759  0.751  0.534  1.0
  Na  Na7  1  0.241  0.251  0.466  1.0
  Nb  Nb8  1  0.773  0.250  0.562  1.0
  Nb  Nb9  1  0.227  0.750  0.438  1.0
  Nb  Nb10  1  0.773  0.750  0.938  1.0
  Nb  Nb11  1  0.227  0.250  0.062  1.0
  O  O12  1  0.556  0.336  0.486  1.0
  O  O13  1  0.444  0.836  0.514  1.0
  O  O14  1  0.556  0.661  0.014  1.0
  O  O15  1  0.444  0.161  0.986  1.0
  O  O16  1  0.444  0.661  0.514  1.0
  O  O17  1  0.556  0.161  0.486  1.0
  O  O18  1  0.444  0.336  0.986  1.0
  O  O19  1  0.556  0.836  0.014  1.0
  O  O20  1  0.350  0.467  0.722  1.0
  O  O21  1  0.650  0.967  0.278  1.0
  O  O22  1  0.650  0.467  0.222  1.0
  O  O23  1  0.350  0.967  0.778  1.0
  F  F24  1  0.707  0.249  0.742  1.0
  F  F25  1  0.293  0.749  0.258  1.0
  F  F26  1  0.707  0.749  0.758  1.0
  F  F27  1  0.293  0.249  0.242  1.0
  F  F28  1  0.025  0.249  0.635  1.0
  F  F29  1  0.975  0.749  0.365  1.0
  F  F30  1  0.025  0.749  0.865  1.0
  F  F31  1  0.975  0.249  0.135  1.0
  F  F32  1  0.824  0.487  0.580  1.0
  F  F33  1  0.176  0.987  0.420  1.0
  F  F34  1  0.824  0.512  0.919  1.0
  F  F35  1  0.176  0.012  0.081  1.0
  F  F36  1  0.176  0.512  0.419  1.0
  F  F37  1  0.824  0.012  0.581  1.0
  F  F38  1  0.176  0.487  0.080  1.0
  F  F39  1  0.824  0.987  0.920  1.0
  F  F40  1  0.097  0.251  0.899  1.0
  F  F41  1  0.903  0.751  0.101  1.0
  F  F42  1  0.097  0.751  0.601  1.0
  F  F43  1  0.903  0.251  0.399  1.0
[/CIF]
.
The structure described by Na2NbO3F5 crystallizes in the orthorhombic Pca2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(3), one F(3), one F(4), two equivalent F(2), and two equivalent F(5) atoms to form distorted NaOF6 hexagonal pyramids that share corners with two equivalent Nb(1)O2F5 pentagonal bipyramids, edges with two equivalent Na(1)OF6 hexagonal pyramids, and edges with two equivalent Nb(1)O2F5 pentagonal bipyramids. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one F(1), one F(2), one F(3), one F(4), and one F(5) atom. Nb(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form distorted NbO2F5 pentagonal bipyramids that share corners with two equivalent Na(1)OF6 hexagonal pyramids and edges with two equivalent Na(1)OF6 hexagonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(2), one Nb(1), and one O(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Nb(1), and one O(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Na(1) atom. There are five inequivalent F sites. In the first F site, F(3) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one Nb(1) atom. In the second F site, F(4) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one Nb(1) atom. In the third F site, F(5) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one Nb(1) atom. In the fourth F site, F(1) is bonded in a bent 150 degrees geometry to one Na(2) and one Nb(1) atom. In the fifth F site, F(2) is bonded to one Na(2), two equivalent Na(1), and one Nb(1) atom to form corner-sharing FNa3Nb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2NbO3F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.745
_cell_length_b   8.299
_cell_length_c   10.417
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   669.580
_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  0.041  0.501  0.750  1.0
  Na  Na1  1  0.959  0.001  0.250  1.0
  Na  Na2  1  0.959  0.501  0.250  1.0
  Na  Na3  1  0.041  0.001  0.750  1.0
  Na  Na4  1  0.759  0.251  0.966  1.0
  Na  Na5  1  0.241  0.751  0.034  1.0
  Na  Na6  1  0.759  0.751  0.534  1.0
  Na  Na7  1  0.241  0.251  0.466  1.0
  Nb  Nb8  1  0.773  0.250  0.562  1.0
  Nb  Nb9  1  0.227  0.750  0.438  1.0
  Nb  Nb10  1  0.773  0.750  0.938  1.0
  Nb  Nb11  1  0.227  0.250  0.062  1.0
  O  O12  1  0.556  0.336  0.486  1.0
  O  O13  1  0.444  0.836  0.514  1.0
  O  O14  1  0.556  0.661  0.014  1.0
  O  O15  1  0.444  0.161  0.986  1.0
  O  O16  1  0.444  0.661  0.514  1.0
  O  O17  1  0.556  0.161  0.486  1.0
  O  O18  1  0.444  0.336  0.986  1.0
  O  O19  1  0.556  0.836  0.014  1.0
  O  O20  1  0.350  0.467  0.722  1.0
  O  O21  1  0.650  0.967  0.278  1.0
  O  O22  1  0.650  0.467  0.222  1.0
  O  O23  1  0.350  0.967  0.778  1.0
  F  F24  1  0.707  0.249  0.742  1.0
  F  F25  1  0.293  0.749  0.258  1.0
  F  F26  1  0.707  0.749  0.758  1.0
  F  F27  1  0.293  0.249  0.242  1.0
  F  F28  1  0.025  0.249  0.635  1.0
  F  F29  1  0.975  0.749  0.365  1.0
  F  F30  1  0.025  0.749  0.865  1.0
  F  F31  1  0.975  0.249  0.135  1.0
  F  F32  1  0.824  0.487  0.580  1.0
  F  F33  1  0.176  0.987  0.420  1.0
  F  F34  1  0.824  0.512  0.919  1.0
  F  F35  1  0.176  0.012  0.081  1.0
  F  F36  1  0.176  0.512  0.419  1.0
  F  F37  1  0.824  0.012  0.581  1.0
  F  F38  1  0.176  0.487  0.080  1.0
  F  F39  1  0.824  0.987  0.920  1.0
  F  F40  1  0.097  0.251  0.899  1.0
  F  F41  1  0.903  0.751  0.101  1.0
  F  F42  1  0.097  0.751  0.601  1.0
  F  F43  1  0.903  0.251  0.399  1.0
[/CIF]
.