The material structure described by Na2VF5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one F(3), one F(4), one F(5), two equivalent F(1), and two equivalent F(2) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 46°. In the second V site, V(2) is bonded to two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one V(1) atom. In the second F site, F(2) is bonded to one Na(2), two equivalent Na(1), and one V(1) atom to form distorted FNa3V tetrahedra that share corners with three equivalent F(2)Na3V tetrahedra, corners with three equivalent F(3)Na2V2 trigonal pyramids, corners with four equivalent F(4)Na3V trigonal pyramids, and  an edgeedge with one F(3)Na2V2 trigonal pyramid. In the third F site, F(3) is bonded to one Na(1), one Na(2), one V(1), and one V(2) atom to form distorted FNa2V2 trigonal pyramids that share corners with three equivalent F(2)Na3V tetrahedra, corners with two equivalent F(3)Na2V2 trigonal pyramids, corners with three equivalent F(4)Na3V trigonal pyramids,  an edgeedge with one F(2)Na3V tetrahedra, and  an edgeedge with one F(4)Na3V trigonal pyramid. In the fourth F site, F(4) is bonded to one Na(1), two equivalent Na(2), and one V(2) atom to form distorted FNa3V trigonal pyramids that share corners with four equivalent F(2)Na3V tetrahedra, corners with three equivalent F(3)Na2V2 trigonal pyramids, corners with three equivalent F(4)Na3V trigonal pyramids, and  an edgeedge with one F(3)Na2V2 trigonal pyramid. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2VF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.259
_cell_length_b   7.402
_cell_length_c   10.853
_cell_angle_alpha   72.053
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   401.941
_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  0.933  0.347  0.316  1.0
  Na  Na1  1  0.433  0.653  0.184  1.0
  Na  Na2  1  0.067  0.653  0.684  1.0
  Na  Na3  1  0.567  0.347  0.816  1.0
  Na  Na4  1  0.494  0.152  0.132  1.0
  Na  Na5  1  0.994  0.848  0.368  1.0
  Na  Na6  1  0.506  0.848  0.868  1.0
  Na  Na7  1  0.006  0.152  0.632  1.0
  V  V8  1  0.500  0.500  0.500  1.0
  V  V9  1  0.000  0.500  0.000  1.0
  V  V10  1  0.500  0.000  0.500  1.0
  V  V11  1  0.000  0.000  0.000  1.0
  F  F12  1  0.762  0.484  0.625  1.0
  F  F13  1  0.262  0.516  0.875  1.0
  F  F14  1  0.238  0.516  0.375  1.0
  F  F15  1  0.738  0.484  0.125  1.0
  F  F16  1  0.719  0.619  0.358  1.0
  F  F17  1  0.219  0.381  0.142  1.0
  F  F18  1  0.281  0.381  0.642  1.0
  F  F19  1  0.781  0.619  0.858  1.0
  F  F20  1  0.651  0.251  0.496  1.0
  F  F21  1  0.151  0.749  0.004  1.0
  F  F22  1  0.349  0.749  0.504  1.0
  F  F23  1  0.849  0.251  0.996  1.0
  F  F24  1  0.845  0.052  0.831  1.0
  F  F25  1  0.345  0.948  0.669  1.0
  F  F26  1  0.155  0.948  0.169  1.0
  F  F27  1  0.655  0.052  0.331  1.0
  F  F28  1  0.687  0.890  0.074  1.0
  F  F29  1  0.187  0.110  0.426  1.0
  F  F30  1  0.313  0.110  0.926  1.0
  F  F31  1  0.813  0.890  0.574  1.0
[/CIF]
.
The material structure described by Na2VF5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one F(3), one F(4), one F(5), two equivalent F(1), and two equivalent F(2) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 46°. In the second V site, V(2) is bonded to two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one V(1) atom. In the second F site, F(2) is bonded to one Na(2), two equivalent Na(1), and one V(1) atom to form distorted FNa3V tetrahedra that share corners with three equivalent F(2)Na3V tetrahedra, corners with three equivalent F(3)Na2V2 trigonal pyramids, corners with four equivalent F(4)Na3V trigonal pyramids, and  an edgeedge with one F(3)Na2V2 trigonal pyramid. In the third F site, F(3) is bonded to one Na(1), one Na(2), one V(1), and one V(2) atom to form distorted FNa2V2 trigonal pyramids that share corners with three equivalent F(2)Na3V tetrahedra, corners with two equivalent F(3)Na2V2 trigonal pyramids, corners with three equivalent F(4)Na3V trigonal pyramids,  an edgeedge with one F(2)Na3V tetrahedra, and  an edgeedge with one F(4)Na3V trigonal pyramid. In the fourth F site, F(4) is bonded to one Na(1), two equivalent Na(2), and one V(2) atom to form distorted FNa3V trigonal pyramids that share corners with four equivalent F(2)Na3V tetrahedra, corners with three equivalent F(3)Na2V2 trigonal pyramids, corners with three equivalent F(4)Na3V trigonal pyramids, and  an edgeedge with one F(3)Na2V2 trigonal pyramid. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2VF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.259
_cell_length_b   7.402
_cell_length_c   10.853
_cell_angle_alpha   72.053
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   401.941
_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  0.933  0.347  0.316  1.0
  Na  Na1  1  0.433  0.653  0.184  1.0
  Na  Na2  1  0.067  0.653  0.684  1.0
  Na  Na3  1  0.567  0.347  0.816  1.0
  Na  Na4  1  0.494  0.152  0.132  1.0
  Na  Na5  1  0.994  0.848  0.368  1.0
  Na  Na6  1  0.506  0.848  0.868  1.0
  Na  Na7  1  0.006  0.152  0.632  1.0
  V  V8  1  0.500  0.500  0.500  1.0
  V  V9  1  0.000  0.500  0.000  1.0
  V  V10  1  0.500  0.000  0.500  1.0
  V  V11  1  0.000  0.000  0.000  1.0
  F  F12  1  0.762  0.484  0.625  1.0
  F  F13  1  0.262  0.516  0.875  1.0
  F  F14  1  0.238  0.516  0.375  1.0
  F  F15  1  0.738  0.484  0.125  1.0
  F  F16  1  0.719  0.619  0.358  1.0
  F  F17  1  0.219  0.381  0.142  1.0
  F  F18  1  0.281  0.381  0.642  1.0
  F  F19  1  0.781  0.619  0.858  1.0
  F  F20  1  0.651  0.251  0.496  1.0
  F  F21  1  0.151  0.749  0.004  1.0
  F  F22  1  0.349  0.749  0.504  1.0
  F  F23  1  0.849  0.251  0.996  1.0
  F  F24  1  0.845  0.052  0.831  1.0
  F  F25  1  0.345  0.948  0.669  1.0
  F  F26  1  0.155  0.948  0.169  1.0
  F  F27  1  0.655  0.052  0.331  1.0
  F  F28  1  0.687  0.890  0.074  1.0
  F  F29  1  0.187  0.110  0.426  1.0
  F  F30  1  0.313  0.110  0.926  1.0
  F  F31  1  0.813  0.890  0.574  1.0
[/CIF]
.