The compound described by Na2VOF4 crystallizes in the monoclinic C2/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 O(1), one F(1), one F(2), one F(4), and three equivalent F(3) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one F(4), two equivalent F(1), and two equivalent F(2) atoms. V(1) is bonded to one O(1), one F(1), one F(2), one F(3), and two equivalent F(4) atoms to form distorted edge-sharing VOF5 octahedra. O(1) is bonded in a 1-coordinate geometry to one Na(1), one Na(2), and one V(1) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Na(1), two equivalent Na(2), and one V(1) atom to form FNa3V tetrahedra that share corners with two equivalent F(1)Na3V tetrahedra, corners with three equivalent F(4)Na2V2 trigonal pyramids, corners with four equivalent F(3)Na3V trigonal pyramids, and  an edgeedge with one F(4)Na2V2 trigonal pyramid. In the second F site, F(2) is bonded in a distorted see-saw-like geometry to one Na(1), two equivalent Na(2), and one V(1) atom. In the third F site, F(3) is bonded to three equivalent Na(1) and one V(1) atom to form FNa3V trigonal pyramids that share corners with four equivalent F(1)Na3V tetrahedra, corners with two equivalent F(3)Na3V trigonal pyramids, corners with three equivalent F(4)Na2V2 trigonal pyramids,  an edgeedge with one F(4)Na2V2 trigonal pyramid, and edges with two equivalent F(3)Na3V trigonal pyramids. In the fourth F site, F(4) is bonded to one Na(1), one Na(2), and two equivalent V(1) atoms to form distorted FNa2V2 trigonal pyramids that share corners with three equivalent F(1)Na3V tetrahedra, corners with three equivalent F(3)Na3V trigonal pyramids,  an edgeedge with one F(1)Na3V tetrahedra,  an edgeedge with one F(4)Na2V2 trigonal pyramid, and  an edgeedge with one F(3)Na3V trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2VOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.852
_cell_length_b   8.296
_cell_length_c   8.296
_cell_angle_alpha   78.158
_cell_angle_beta   77.088
_cell_angle_gamma   77.088
_symmetry_Int_Tables_number   1
_cell_volume   441.978
_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  0.625  0.000  0.794  1.0
  Na  Na1  1  0.125  0.794  0.000  1.0
  Na  Na2  1  0.375  1.000  0.206  1.0
  Na  Na3  1  0.875  0.206  1.000  1.0
  Na  Na4  1  0.967  0.569  0.762  1.0
  Na  Na5  1  0.467  0.762  0.569  1.0
  Na  Na6  1  0.033  0.431  0.238  1.0
  Na  Na7  1  0.533  0.238  0.431  1.0
  V  V8  1  0.917  0.871  0.399  1.0
  V  V9  1  0.083  0.129  0.601  1.0
  V  V10  1  0.583  0.601  0.129  1.0
  V  V11  1  0.417  0.399  0.871  1.0
  O  O12  1  0.012  0.316  0.655  1.0
  O  O13  1  0.512  0.655  0.316  1.0
  O  O14  1  0.488  0.345  0.684  1.0
  O  O15  1  0.988  0.684  0.345  1.0
  F  F16  1  0.273  0.628  0.796  1.0
  F  F17  1  0.227  0.204  0.372  1.0
  F  F18  1  0.727  0.372  0.204  1.0
  F  F19  1  0.773  0.796  0.628  1.0
  F  F20  1  0.651  0.964  0.343  1.0
  F  F21  1  0.849  0.657  0.036  1.0
  F  F22  1  0.151  0.343  0.964  1.0
  F  F23  1  0.349  0.036  0.657  1.0
  F  F24  1  0.962  0.003  0.815  1.0
  F  F25  1  0.038  0.997  0.185  1.0
  F  F26  1  0.462  0.815  0.003  1.0
  F  F27  1  0.538  0.185  0.997  1.0
  F  F28  1  0.156  0.888  0.491  1.0
  F  F29  1  0.844  0.112  0.509  1.0
  F  F30  1  0.656  0.491  0.888  1.0
  F  F31  1  0.344  0.509  0.112  1.0
[/CIF]
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The compound described by Na2VOF4 crystallizes in the monoclinic C2/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 O(1), one F(1), one F(2), one F(4), and three equivalent F(3) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one F(4), two equivalent F(1), and two equivalent F(2) atoms. V(1) is bonded to one O(1), one F(1), one F(2), one F(3), and two equivalent F(4) atoms to form distorted edge-sharing VOF5 octahedra. O(1) is bonded in a 1-coordinate geometry to one Na(1), one Na(2), and one V(1) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Na(1), two equivalent Na(2), and one V(1) atom to form FNa3V tetrahedra that share corners with two equivalent F(1)Na3V tetrahedra, corners with three equivalent F(4)Na2V2 trigonal pyramids, corners with four equivalent F(3)Na3V trigonal pyramids, and  an edgeedge with one F(4)Na2V2 trigonal pyramid. In the second F site, F(2) is bonded in a distorted see-saw-like geometry to one Na(1), two equivalent Na(2), and one V(1) atom. In the third F site, F(3) is bonded to three equivalent Na(1) and one V(1) atom to form FNa3V trigonal pyramids that share corners with four equivalent F(1)Na3V tetrahedra, corners with two equivalent F(3)Na3V trigonal pyramids, corners with three equivalent F(4)Na2V2 trigonal pyramids,  an edgeedge with one F(4)Na2V2 trigonal pyramid, and edges with two equivalent F(3)Na3V trigonal pyramids. In the fourth F site, F(4) is bonded to one Na(1), one Na(2), and two equivalent V(1) atoms to form distorted FNa2V2 trigonal pyramids that share corners with three equivalent F(1)Na3V tetrahedra, corners with three equivalent F(3)Na3V trigonal pyramids,  an edgeedge with one F(1)Na3V tetrahedra,  an edgeedge with one F(4)Na2V2 trigonal pyramid, and  an edgeedge with one F(3)Na3V trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2VOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.852
_cell_length_b   8.296
_cell_length_c   8.296
_cell_angle_alpha   78.158
_cell_angle_beta   77.088
_cell_angle_gamma   77.088
_symmetry_Int_Tables_number   1
_cell_volume   441.978
_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  0.625  0.000  0.794  1.0
  Na  Na1  1  0.125  0.794  0.000  1.0
  Na  Na2  1  0.375  1.000  0.206  1.0
  Na  Na3  1  0.875  0.206  1.000  1.0
  Na  Na4  1  0.967  0.569  0.762  1.0
  Na  Na5  1  0.467  0.762  0.569  1.0
  Na  Na6  1  0.033  0.431  0.238  1.0
  Na  Na7  1  0.533  0.238  0.431  1.0
  V  V8  1  0.917  0.871  0.399  1.0
  V  V9  1  0.083  0.129  0.601  1.0
  V  V10  1  0.583  0.601  0.129  1.0
  V  V11  1  0.417  0.399  0.871  1.0
  O  O12  1  0.012  0.316  0.655  1.0
  O  O13  1  0.512  0.655  0.316  1.0
  O  O14  1  0.488  0.345  0.684  1.0
  O  O15  1  0.988  0.684  0.345  1.0
  F  F16  1  0.273  0.628  0.796  1.0
  F  F17  1  0.227  0.204  0.372  1.0
  F  F18  1  0.727  0.372  0.204  1.0
  F  F19  1  0.773  0.796  0.628  1.0
  F  F20  1  0.651  0.964  0.343  1.0
  F  F21  1  0.849  0.657  0.036  1.0
  F  F22  1  0.151  0.343  0.964  1.0
  F  F23  1  0.349  0.036  0.657  1.0
  F  F24  1  0.962  0.003  0.815  1.0
  F  F25  1  0.038  0.997  0.185  1.0
  F  F26  1  0.462  0.815  0.003  1.0
  F  F27  1  0.538  0.185  0.997  1.0
  F  F28  1  0.156  0.888  0.491  1.0
  F  F29  1  0.844  0.112  0.509  1.0
  F  F30  1  0.656  0.491  0.888  1.0
  F  F31  1  0.344  0.509  0.112  1.0
[/CIF]
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