The structure described by NaVF4 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to one F(1), one F(2), two equivalent F(4), and three equivalent F(3) atoms. V(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Na(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Na(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded in a 4-coordinate geometry to three equivalent Na(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one V(1) atom. is represented by the CIF file [CIF]
data_NaVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.275
_cell_length_b   7.512
_cell_length_c   7.795
_cell_angle_alpha   79.198
_cell_angle_beta   89.995
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   303.400
_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  0.216  0.882  0.358  1.0
  Na  Na1  1  0.716  0.618  0.642  1.0
  Na  Na2  1  0.784  0.118  0.642  1.0
  Na  Na3  1  0.284  0.382  0.358  1.0
  V  V4  1  0.741  0.696  0.172  1.0
  V  V5  1  0.241  0.804  0.828  1.0
  V  V6  1  0.259  0.304  0.828  1.0
  V  V7  1  0.759  0.196  0.172  1.0
  F  F8  1  0.875  0.945  0.172  1.0
  F  F9  1  0.375  0.555  0.828  1.0
  F  F10  1  0.125  0.055  0.828  1.0
  F  F11  1  0.625  0.445  0.172  1.0
  F  F12  1  0.429  0.797  0.046  1.0
  F  F13  1  0.929  0.703  0.954  1.0
  F  F14  1  0.571  0.203  0.955  1.0
  F  F15  1  0.071  0.297  0.046  1.0
  F  F16  1  0.545  0.688  0.377  1.0
  F  F17  1  0.045  0.812  0.623  1.0
  F  F18  1  0.455  0.312  0.623  1.0
  F  F19  1  0.955  0.188  0.377  1.0
  F  F20  1  0.025  0.615  0.307  1.0
  F  F21  1  0.525  0.885  0.694  1.0
  F  F22  1  0.975  0.385  0.694  1.0
  F  F23  1  0.475  0.115  0.307  1.0
[/CIF]
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The structure described by NaVF4 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to one F(1), one F(2), two equivalent F(4), and three equivalent F(3) atoms. V(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Na(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Na(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded in a 4-coordinate geometry to three equivalent Na(1) and one V(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one V(1) atom. is represented by the CIF file [CIF]
data_NaVF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.275
_cell_length_b   7.512
_cell_length_c   7.795
_cell_angle_alpha   79.198
_cell_angle_beta   89.995
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   303.400
_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  0.216  0.882  0.358  1.0
  Na  Na1  1  0.716  0.618  0.642  1.0
  Na  Na2  1  0.784  0.118  0.642  1.0
  Na  Na3  1  0.284  0.382  0.358  1.0
  V  V4  1  0.741  0.696  0.172  1.0
  V  V5  1  0.241  0.804  0.828  1.0
  V  V6  1  0.259  0.304  0.828  1.0
  V  V7  1  0.759  0.196  0.172  1.0
  F  F8  1  0.875  0.945  0.172  1.0
  F  F9  1  0.375  0.555  0.828  1.0
  F  F10  1  0.125  0.055  0.828  1.0
  F  F11  1  0.625  0.445  0.172  1.0
  F  F12  1  0.429  0.797  0.046  1.0
  F  F13  1  0.929  0.703  0.954  1.0
  F  F14  1  0.571  0.203  0.955  1.0
  F  F15  1  0.071  0.297  0.046  1.0
  F  F16  1  0.545  0.688  0.377  1.0
  F  F17  1  0.045  0.812  0.623  1.0
  F  F18  1  0.455  0.312  0.623  1.0
  F  F19  1  0.955  0.188  0.377  1.0
  F  F20  1  0.025  0.615  0.307  1.0
  F  F21  1  0.525  0.885  0.694  1.0
  F  F22  1  0.975  0.385  0.694  1.0
  F  F23  1  0.475  0.115  0.307  1.0
[/CIF]
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