The compound described by Li2VF4 crystallizes in the trigonal R-3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(3), and two equivalent F(2) atoms to form LiF4 trigonal pyramids that share corners with three equivalent V(1)F6 octahedra,  a cornercorner with one Li(2)F4 trigonal pyramid, corners with two equivalent Li(1)F4 trigonal pyramids, and edges with two equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-64°. In the second Li site, Li(2) is bonded to one F(1) and three equivalent F(4) atoms to form distorted LiF4 trigonal pyramids that share corners with four equivalent V(1)F6 octahedra,  a cornercorner with one Li(1)F4 trigonal pyramid, corners with two equivalent Li(2)F4 trigonal pyramids, and edges with two equivalent Li(2)F4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 22-80°. V(1) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form VF6 octahedra that share corners with two equivalent V(1)F6 octahedra, corners with three equivalent Li(1)F4 trigonal pyramids, corners with four equivalent Li(2)F4 trigonal pyramids,  an edgeedge with one V(1)F6 octahedra, and edges with two equivalent Li(1)F4 trigonal pyramids. The corner-sharing octahedral tilt angles are 39°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a see-saw-like geometry to three equivalent Li(2) and one V(1) atom. is represented by the CIF file [CIF]
data_Li2VF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.207
_cell_length_b   8.207
_cell_length_c   8.207
_cell_angle_alpha   98.921
_cell_angle_beta   98.921
_cell_angle_gamma   98.921
_symmetry_Int_Tables_number   1
_cell_volume   530.326
_cell_formula_units_Z   6
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
  Li  Li0  1  0.719  0.170  0.888  1.0
  Li  Li1  1  0.830  0.112  0.281  1.0
  Li  Li2  1  0.561  0.243  0.473  1.0
  Li  Li3  1  0.112  0.281  0.830  1.0
  Li  Li4  1  0.527  0.439  0.757  1.0
  Li  Li5  1  0.243  0.473  0.561  1.0
  Li  Li6  1  0.757  0.527  0.439  1.0
  Li  Li7  1  0.473  0.561  0.243  1.0
  Li  Li8  1  0.888  0.719  0.170  1.0
  Li  Li9  1  0.439  0.757  0.527  1.0
  Li  Li10  1  0.170  0.888  0.719  1.0
  Li  Li11  1  0.281  0.830  0.112  1.0
  V  V12  1  0.180  0.085  0.445  1.0
  V  V13  1  0.445  0.180  0.085  1.0
  V  V14  1  0.915  0.555  0.820  1.0
  V  V15  1  0.085  0.445  0.180  1.0
  V  V16  1  0.555  0.820  0.915  1.0
  V  V17  1  0.820  0.915  0.555  1.0
  F  F18  1  0.706  0.093  0.449  1.0
  F  F19  1  0.667  0.057  0.082  1.0
  F  F20  1  0.918  0.333  0.943  1.0
  F  F21  1  0.057  0.082  0.667  1.0
  F  F22  1  0.551  0.294  0.907  1.0
  F  F23  1  0.323  0.048  0.252  1.0
  F  F24  1  0.712  0.431  0.632  1.0
  F  F25  1  0.368  0.288  0.569  1.0
  F  F26  1  0.569  0.368  0.288  1.0
  F  F27  1  0.048  0.252  0.323  1.0
  F  F28  1  0.093  0.449  0.706  1.0
  F  F29  1  0.252  0.323  0.048  1.0
  F  F30  1  0.748  0.677  0.952  1.0
  F  F31  1  0.907  0.551  0.294  1.0
  F  F32  1  0.952  0.748  0.677  1.0
  F  F33  1  0.431  0.632  0.712  1.0
  F  F34  1  0.632  0.712  0.431  1.0
  F  F35  1  0.288  0.569  0.368  1.0
  F  F36  1  0.677  0.952  0.748  1.0
  F  F37  1  0.449  0.706  0.093  1.0
  F  F38  1  0.943  0.918  0.333  1.0
  F  F39  1  0.082  0.667  0.057  1.0
  F  F40  1  0.333  0.943  0.918  1.0
  F  F41  1  0.294  0.907  0.551  1.0
[/CIF]
.
The compound described by Li2VF4 crystallizes in the trigonal R-3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(3), and two equivalent F(2) atoms to form LiF4 trigonal pyramids that share corners with three equivalent V(1)F6 octahedra,  a cornercorner with one Li(2)F4 trigonal pyramid, corners with two equivalent Li(1)F4 trigonal pyramids, and edges with two equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-64°. In the second Li site, Li(2) is bonded to one F(1) and three equivalent F(4) atoms to form distorted LiF4 trigonal pyramids that share corners with four equivalent V(1)F6 octahedra,  a cornercorner with one Li(1)F4 trigonal pyramid, corners with two equivalent Li(2)F4 trigonal pyramids, and edges with two equivalent Li(2)F4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 22-80°. V(1) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form VF6 octahedra that share corners with two equivalent V(1)F6 octahedra, corners with three equivalent Li(1)F4 trigonal pyramids, corners with four equivalent Li(2)F4 trigonal pyramids,  an edgeedge with one V(1)F6 octahedra, and edges with two equivalent Li(1)F4 trigonal pyramids. The corner-sharing octahedral tilt angles are 39°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a see-saw-like geometry to three equivalent Li(2) and one V(1) atom. is represented by the CIF file [CIF]
data_Li2VF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.207
_cell_length_b   8.207
_cell_length_c   8.207
_cell_angle_alpha   98.921
_cell_angle_beta   98.921
_cell_angle_gamma   98.921
_symmetry_Int_Tables_number   1
_cell_volume   530.326
_cell_formula_units_Z   6
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
  Li  Li0  1  0.719  0.170  0.888  1.0
  Li  Li1  1  0.830  0.112  0.281  1.0
  Li  Li2  1  0.561  0.243  0.473  1.0
  Li  Li3  1  0.112  0.281  0.830  1.0
  Li  Li4  1  0.527  0.439  0.757  1.0
  Li  Li5  1  0.243  0.473  0.561  1.0
  Li  Li6  1  0.757  0.527  0.439  1.0
  Li  Li7  1  0.473  0.561  0.243  1.0
  Li  Li8  1  0.888  0.719  0.170  1.0
  Li  Li9  1  0.439  0.757  0.527  1.0
  Li  Li10  1  0.170  0.888  0.719  1.0
  Li  Li11  1  0.281  0.830  0.112  1.0
  V  V12  1  0.180  0.085  0.445  1.0
  V  V13  1  0.445  0.180  0.085  1.0
  V  V14  1  0.915  0.555  0.820  1.0
  V  V15  1  0.085  0.445  0.180  1.0
  V  V16  1  0.555  0.820  0.915  1.0
  V  V17  1  0.820  0.915  0.555  1.0
  F  F18  1  0.706  0.093  0.449  1.0
  F  F19  1  0.667  0.057  0.082  1.0
  F  F20  1  0.918  0.333  0.943  1.0
  F  F21  1  0.057  0.082  0.667  1.0
  F  F22  1  0.551  0.294  0.907  1.0
  F  F23  1  0.323  0.048  0.252  1.0
  F  F24  1  0.712  0.431  0.632  1.0
  F  F25  1  0.368  0.288  0.569  1.0
  F  F26  1  0.569  0.368  0.288  1.0
  F  F27  1  0.048  0.252  0.323  1.0
  F  F28  1  0.093  0.449  0.706  1.0
  F  F29  1  0.252  0.323  0.048  1.0
  F  F30  1  0.748  0.677  0.952  1.0
  F  F31  1  0.907  0.551  0.294  1.0
  F  F32  1  0.952  0.748  0.677  1.0
  F  F33  1  0.431  0.632  0.712  1.0
  F  F34  1  0.632  0.712  0.431  1.0
  F  F35  1  0.288  0.569  0.368  1.0
  F  F36  1  0.677  0.952  0.748  1.0
  F  F37  1  0.449  0.706  0.093  1.0
  F  F38  1  0.943  0.918  0.333  1.0
  F  F39  1  0.082  0.667  0.057  1.0
  F  F40  1  0.333  0.943  0.918  1.0
  F  F41  1  0.294  0.907  0.551  1.0
[/CIF]
.