The material structure described by Na2NbO4F5 crystallizes in the orthorhombic Aea2 space group. Na(1) is bonded to one O(2), two equivalent O(1), one F(1), one F(2), and one F(3) atom to form NaO3F3 octahedra that share corners with three equivalent Na(1)O3F3 octahedra and corners with four equivalent Nb(1)O2F5 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 53-71°. Nb(1) is bonded to two equivalent O(2), one F(3), two equivalent F(1), and two equivalent F(2) atoms to form distorted NbO2F5 pentagonal bipyramids that share corners with eight equivalent Na(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 30-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Na(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Nb(1), and one O(2) atom. There are three inequivalent F sites. In the first F site, F(2) is bonded in a bent 150 degrees geometry to one Na(1) and one Nb(1) atom. In the second F site, F(3) is bonded in a trigonal planar geometry to two equivalent Na(1) and one Nb(1) atom. In the third F site, F(1) is bonded in a bent 150 degrees geometry to one Na(1) and one Nb(1) atom. is represented by the CIF file [CIF]
data_Na2NbO4F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.127
_cell_length_b   6.127
_cell_length_c   10.731
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.148
_symmetry_Int_Tables_number   1
_cell_volume   386.894
_cell_formula_units_Z   2
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  0.608  0.353  0.858  1.0
  Na  Na1  1  0.353  0.608  0.142  1.0
  Na  Na2  1  0.108  0.853  0.642  1.0
  Na  Na3  1  0.853  0.108  0.358  1.0
  Nb  Nb4  1  0.517  0.517  0.500  1.0
  Nb  Nb5  1  0.017  0.017  0.000  1.0
  O  O6  1  0.968  0.494  0.744  1.0
  O  O7  1  0.494  0.968  0.256  1.0
  O  O8  1  0.468  0.994  0.756  1.0
  O  O9  1  0.994  0.468  0.244  1.0
  O  O10  1  0.250  0.251  0.565  1.0
  O  O11  1  0.251  0.250  0.435  1.0
  O  O12  1  0.750  0.751  0.935  1.0
  O  O13  1  0.751  0.750  0.065  1.0
  F  F14  1  0.570  0.556  0.682  1.0
  F  F15  1  0.556  0.570  0.318  1.0
  F  F16  1  0.070  0.056  0.818  1.0
  F  F17  1  0.056  0.070  0.182  1.0
  F  F18  1  0.710  0.314  0.498  1.0
  F  F19  1  0.314  0.710  0.502  1.0
  F  F20  1  0.210  0.814  0.002  1.0
  F  F21  1  0.814  0.210  0.998  1.0
  F  F22  1  0.789  0.789  0.500  1.0
  F  F23  1  0.289  0.289  0.000  1.0
[/CIF]
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The material structure described by Na2NbO4F5 crystallizes in the orthorhombic Aea2 space group. Na(1) is bonded to one O(2), two equivalent O(1), one F(1), one F(2), and one F(3) atom to form NaO3F3 octahedra that share corners with three equivalent Na(1)O3F3 octahedra and corners with four equivalent Nb(1)O2F5 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 53-71°. Nb(1) is bonded to two equivalent O(2), one F(3), two equivalent F(1), and two equivalent F(2) atoms to form distorted NbO2F5 pentagonal bipyramids that share corners with eight equivalent Na(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 30-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Na(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Nb(1), and one O(2) atom. There are three inequivalent F sites. In the first F site, F(2) is bonded in a bent 150 degrees geometry to one Na(1) and one Nb(1) atom. In the second F site, F(3) is bonded in a trigonal planar geometry to two equivalent Na(1) and one Nb(1) atom. In the third F site, F(1) is bonded in a bent 150 degrees geometry to one Na(1) and one Nb(1) atom. is represented by the CIF file [CIF]
data_Na2NbO4F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.127
_cell_length_b   6.127
_cell_length_c   10.731
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.148
_symmetry_Int_Tables_number   1
_cell_volume   386.894
_cell_formula_units_Z   2
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  0.608  0.353  0.858  1.0
  Na  Na1  1  0.353  0.608  0.142  1.0
  Na  Na2  1  0.108  0.853  0.642  1.0
  Na  Na3  1  0.853  0.108  0.358  1.0
  Nb  Nb4  1  0.517  0.517  0.500  1.0
  Nb  Nb5  1  0.017  0.017  0.000  1.0
  O  O6  1  0.968  0.494  0.744  1.0
  O  O7  1  0.494  0.968  0.256  1.0
  O  O8  1  0.468  0.994  0.756  1.0
  O  O9  1  0.994  0.468  0.244  1.0
  O  O10  1  0.250  0.251  0.565  1.0
  O  O11  1  0.251  0.250  0.435  1.0
  O  O12  1  0.750  0.751  0.935  1.0
  O  O13  1  0.751  0.750  0.065  1.0
  F  F14  1  0.570  0.556  0.682  1.0
  F  F15  1  0.556  0.570  0.318  1.0
  F  F16  1  0.070  0.056  0.818  1.0
  F  F17  1  0.056  0.070  0.182  1.0
  F  F18  1  0.710  0.314  0.498  1.0
  F  F19  1  0.314  0.710  0.502  1.0
  F  F20  1  0.210  0.814  0.002  1.0
  F  F21  1  0.814  0.210  0.998  1.0
  F  F22  1  0.789  0.789  0.500  1.0
  F  F23  1  0.289  0.289  0.000  1.0
[/CIF]
.