The material 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 in a distorted see-saw-like geometry to one F(2), one F(4), and two equivalent F(1) atoms. In the second Li site, Li(2) is bonded to one F(2), one F(4), and two equivalent F(3) atoms to form distorted LiF4 trigonal pyramids that share corners with five equivalent V(1)F6 octahedra, corners with two equivalent Li(2)F4 trigonal pyramids, and  an edgeedge with one V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 38-74°. 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 five equivalent Li(2)F4 trigonal pyramids,  an edgeedge with one V(1)F6 octahedra, and  an edgeedge with one Li(2)F4 trigonal pyramid. The corner-sharing octahedral tilt angles are 47°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the second F site, F(2) is bonded to one Li(1), one Li(2), and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing FLi2V2 trigonal pyramids. In the third F site, F(3) is bonded to two equivalent Li(2) and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing FLi2V2 tetrahedra. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. is represented by the CIF card [CIF]
data_Li2VF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.874
_cell_length_b   8.874
_cell_length_c   8.874
_cell_angle_alpha   108.795
_cell_angle_beta   108.795
_cell_angle_gamma   108.795
_symmetry_Int_Tables_number   1
_cell_volume   551.009
_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  0.920  0.031  0.290  1.0
  Li  Li1  1  0.710  0.080  0.969  1.0
  Li  Li2  1  0.634  0.215  0.347  1.0
  Li  Li3  1  0.969  0.710  0.080  1.0
  Li  Li4  1  0.653  0.366  0.785  1.0
  Li  Li5  1  0.785  0.653  0.366  1.0
  Li  Li6  1  0.215  0.347  0.634  1.0
  Li  Li7  1  0.347  0.634  0.215  1.0
  Li  Li8  1  0.031  0.290  0.920  1.0
  Li  Li9  1  0.366  0.785  0.653  1.0
  Li  Li10  1  0.290  0.920  0.031  1.0
  Li  Li11  1  0.080  0.969  0.710  1.0
  V  V12  1  0.709  0.026  0.543  1.0
  V  V13  1  0.974  0.457  0.291  1.0
  V  V14  1  0.457  0.291  0.974  1.0
  V  V15  1  0.543  0.709  0.026  1.0
  V  V16  1  0.026  0.543  0.709  1.0
  V  V17  1  0.291  0.974  0.457  1.0
  F  F18  1  0.795  0.111  0.813  1.0
  F  F19  1  0.633  0.960  0.268  1.0
  F  F20  1  0.889  0.187  0.205  1.0
  F  F21  1  0.040  0.732  0.367  1.0
  F  F22  1  0.820  0.464  0.440  1.0
  F  F23  1  0.468  0.155  0.124  1.0
  F  F24  1  0.876  0.532  0.845  1.0
  F  F25  1  0.732  0.367  0.040  1.0
  F  F26  1  0.560  0.180  0.536  1.0
  F  F27  1  0.536  0.560  0.180  1.0
  F  F28  1  0.187  0.205  0.889  1.0
  F  F29  1  0.845  0.876  0.532  1.0
  F  F30  1  0.155  0.124  0.468  1.0
  F  F31  1  0.813  0.795  0.111  1.0
  F  F32  1  0.464  0.440  0.820  1.0
  F  F33  1  0.440  0.820  0.464  1.0
  F  F34  1  0.268  0.633  0.960  1.0
  F  F35  1  0.124  0.468  0.155  1.0
  F  F36  1  0.532  0.845  0.876  1.0
  F  F37  1  0.180  0.536  0.560  1.0
  F  F38  1  0.960  0.268  0.633  1.0
  F  F39  1  0.111  0.813  0.795  1.0
  F  F40  1  0.367  0.040  0.732  1.0
  F  F41  1  0.205  0.889  0.187  1.0
[/CIF]
.
The material 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 in a distorted see-saw-like geometry to one F(2), one F(4), and two equivalent F(1) atoms. In the second Li site, Li(2) is bonded to one F(2), one F(4), and two equivalent F(3) atoms to form distorted LiF4 trigonal pyramids that share corners with five equivalent V(1)F6 octahedra, corners with two equivalent Li(2)F4 trigonal pyramids, and  an edgeedge with one V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 38-74°. 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 five equivalent Li(2)F4 trigonal pyramids,  an edgeedge with one V(1)F6 octahedra, and  an edgeedge with one Li(2)F4 trigonal pyramid. The corner-sharing octahedral tilt angles are 47°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the second F site, F(2) is bonded to one Li(1), one Li(2), and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing FLi2V2 trigonal pyramids. In the third F site, F(3) is bonded to two equivalent Li(2) and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing FLi2V2 tetrahedra. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. is represented by the CIF card [CIF]
data_Li2VF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.874
_cell_length_b   8.874
_cell_length_c   8.874
_cell_angle_alpha   108.795
_cell_angle_beta   108.795
_cell_angle_gamma   108.795
_symmetry_Int_Tables_number   1
_cell_volume   551.009
_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  0.920  0.031  0.290  1.0
  Li  Li1  1  0.710  0.080  0.969  1.0
  Li  Li2  1  0.634  0.215  0.347  1.0
  Li  Li3  1  0.969  0.710  0.080  1.0
  Li  Li4  1  0.653  0.366  0.785  1.0
  Li  Li5  1  0.785  0.653  0.366  1.0
  Li  Li6  1  0.215  0.347  0.634  1.0
  Li  Li7  1  0.347  0.634  0.215  1.0
  Li  Li8  1  0.031  0.290  0.920  1.0
  Li  Li9  1  0.366  0.785  0.653  1.0
  Li  Li10  1  0.290  0.920  0.031  1.0
  Li  Li11  1  0.080  0.969  0.710  1.0
  V  V12  1  0.709  0.026  0.543  1.0
  V  V13  1  0.974  0.457  0.291  1.0
  V  V14  1  0.457  0.291  0.974  1.0
  V  V15  1  0.543  0.709  0.026  1.0
  V  V16  1  0.026  0.543  0.709  1.0
  V  V17  1  0.291  0.974  0.457  1.0
  F  F18  1  0.795  0.111  0.813  1.0
  F  F19  1  0.633  0.960  0.268  1.0
  F  F20  1  0.889  0.187  0.205  1.0
  F  F21  1  0.040  0.732  0.367  1.0
  F  F22  1  0.820  0.464  0.440  1.0
  F  F23  1  0.468  0.155  0.124  1.0
  F  F24  1  0.876  0.532  0.845  1.0
  F  F25  1  0.732  0.367  0.040  1.0
  F  F26  1  0.560  0.180  0.536  1.0
  F  F27  1  0.536  0.560  0.180  1.0
  F  F28  1  0.187  0.205  0.889  1.0
  F  F29  1  0.845  0.876  0.532  1.0
  F  F30  1  0.155  0.124  0.468  1.0
  F  F31  1  0.813  0.795  0.111  1.0
  F  F32  1  0.464  0.440  0.820  1.0
  F  F33  1  0.440  0.820  0.464  1.0
  F  F34  1  0.268  0.633  0.960  1.0
  F  F35  1  0.124  0.468  0.155  1.0
  F  F36  1  0.532  0.845  0.876  1.0
  F  F37  1  0.180  0.536  0.560  1.0
  F  F38  1  0.960  0.268  0.633  1.0
  F  F39  1  0.111  0.813  0.795  1.0
  F  F40  1  0.367  0.040  0.732  1.0
  F  F41  1  0.205  0.889  0.187  1.0
[/CIF]
.