The compound described by Li2VF4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one F(1), one F(2), and one F(4) atom. In the second Li site, Li(2) is bonded to one F(2), two equivalent F(1), and two equivalent F(3) atoms to form distorted LiF5 square pyramids that share corners with five equivalent V(1)F6 octahedra,  an edgeedge with one V(1)F6 octahedra, and edges with two equivalent Li(2)F5 square pyramids. The corner-sharing octahedral tilt angles range from 49-58°. V(1) is bonded to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form VF6 octahedra that share corners with five equivalent Li(2)F5 square pyramids, edges with two equivalent V(1)F6 octahedra, and  an edgeedge with one Li(2)F5 square pyramid. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), two equivalent Li(2), and one V(1) atom to form distorted FLi3V trigonal pyramids that share corners with four equivalent F(3)Li2V2 trigonal pyramids,  an edgeedge with one F(3)Li2V2 trigonal pyramid, and  an edgeedge with one F(1)Li3V trigonal pyramid. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the third F site, F(3) is bonded to two equivalent Li(2) and two equivalent V(1) atoms to form distorted FLi2V2 trigonal pyramids that share corners with two equivalent F(3)Li2V2 trigonal pyramids, corners with four equivalent F(1)Li3V trigonal pyramids,  an edgeedge with one F(3)Li2V2 trigonal pyramid, and  an edgeedge with one F(1)Li3V trigonal pyramid. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_Li2VF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.297
_cell_length_b   5.235
_cell_length_c   11.107
_cell_angle_alpha   62.234
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   323.944
_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
  Li  Li0  1  0.093  0.891  0.861  1.0
  Li  Li1  1  0.593  0.109  0.639  1.0
  Li  Li2  1  0.088  0.194  0.541  1.0
  Li  Li3  1  0.588  0.806  0.959  1.0
  Li  Li4  1  0.412  0.194  0.041  1.0
  Li  Li5  1  0.912  0.806  0.459  1.0
  Li  Li6  1  0.407  0.891  0.361  1.0
  Li  Li7  1  0.907  0.109  0.139  1.0
  V  V8  1  0.674  0.491  0.255  1.0
  V  V9  1  0.174  0.509  0.245  1.0
  V  V10  1  0.826  0.491  0.755  1.0
  V  V11  1  0.326  0.509  0.745  1.0
  F  F12  1  0.345  0.061  0.884  1.0
  F  F13  1  0.820  0.040  0.853  1.0
  F  F14  1  0.930  0.535  0.373  1.0
  F  F15  1  0.418  0.522  0.371  1.0
  F  F16  1  0.320  0.960  0.647  1.0
  F  F17  1  0.845  0.939  0.616  1.0
  F  F18  1  0.570  0.535  0.873  1.0
  F  F19  1  0.918  0.478  0.129  1.0
  F  F20  1  0.082  0.522  0.871  1.0
  F  F21  1  0.430  0.465  0.127  1.0
  F  F22  1  0.155  0.061  0.384  1.0
  F  F23  1  0.680  0.040  0.353  1.0
  F  F24  1  0.582  0.478  0.629  1.0
  F  F25  1  0.070  0.465  0.627  1.0
  F  F26  1  0.180  0.960  0.147  1.0
  F  F27  1  0.655  0.939  0.116  1.0
[/CIF]
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The compound described by Li2VF4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one F(1), one F(2), and one F(4) atom. In the second Li site, Li(2) is bonded to one F(2), two equivalent F(1), and two equivalent F(3) atoms to form distorted LiF5 square pyramids that share corners with five equivalent V(1)F6 octahedra,  an edgeedge with one V(1)F6 octahedra, and edges with two equivalent Li(2)F5 square pyramids. The corner-sharing octahedral tilt angles range from 49-58°. V(1) is bonded to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form VF6 octahedra that share corners with five equivalent Li(2)F5 square pyramids, edges with two equivalent V(1)F6 octahedra, and  an edgeedge with one Li(2)F5 square pyramid. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), two equivalent Li(2), and one V(1) atom to form distorted FLi3V trigonal pyramids that share corners with four equivalent F(3)Li2V2 trigonal pyramids,  an edgeedge with one F(3)Li2V2 trigonal pyramid, and  an edgeedge with one F(1)Li3V trigonal pyramid. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the third F site, F(3) is bonded to two equivalent Li(2) and two equivalent V(1) atoms to form distorted FLi2V2 trigonal pyramids that share corners with two equivalent F(3)Li2V2 trigonal pyramids, corners with four equivalent F(1)Li3V trigonal pyramids,  an edgeedge with one F(3)Li2V2 trigonal pyramid, and  an edgeedge with one F(1)Li3V trigonal pyramid. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_Li2VF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.297
_cell_length_b   5.235
_cell_length_c   11.107
_cell_angle_alpha   62.234
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   323.944
_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
  Li  Li0  1  0.093  0.891  0.861  1.0
  Li  Li1  1  0.593  0.109  0.639  1.0
  Li  Li2  1  0.088  0.194  0.541  1.0
  Li  Li3  1  0.588  0.806  0.959  1.0
  Li  Li4  1  0.412  0.194  0.041  1.0
  Li  Li5  1  0.912  0.806  0.459  1.0
  Li  Li6  1  0.407  0.891  0.361  1.0
  Li  Li7  1  0.907  0.109  0.139  1.0
  V  V8  1  0.674  0.491  0.255  1.0
  V  V9  1  0.174  0.509  0.245  1.0
  V  V10  1  0.826  0.491  0.755  1.0
  V  V11  1  0.326  0.509  0.745  1.0
  F  F12  1  0.345  0.061  0.884  1.0
  F  F13  1  0.820  0.040  0.853  1.0
  F  F14  1  0.930  0.535  0.373  1.0
  F  F15  1  0.418  0.522  0.371  1.0
  F  F16  1  0.320  0.960  0.647  1.0
  F  F17  1  0.845  0.939  0.616  1.0
  F  F18  1  0.570  0.535  0.873  1.0
  F  F19  1  0.918  0.478  0.129  1.0
  F  F20  1  0.082  0.522  0.871  1.0
  F  F21  1  0.430  0.465  0.127  1.0
  F  F22  1  0.155  0.061  0.384  1.0
  F  F23  1  0.680  0.040  0.353  1.0
  F  F24  1  0.582  0.478  0.629  1.0
  F  F25  1  0.070  0.465  0.627  1.0
  F  F26  1  0.180  0.960  0.147  1.0
  F  F27  1  0.655  0.939  0.116  1.0
[/CIF]
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