The crystal structure described by Li2VF5 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 6-coordinate geometry to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms. In the second Li site, Li(2) is bonded to one F(5), two equivalent F(3), and two equivalent F(4) atoms to form distorted LiF5 trigonal bipyramids that share corners with three equivalent V(1)F7 pentagonal bipyramids,  an edgeedge with one V(1)F7 pentagonal bipyramid, and edges with two equivalent Li(2)F5 trigonal bipyramids. V(1) is bonded to one F(3), one F(4), one F(5), two equivalent F(1), and two equivalent F(2) atoms to form distorted VF7 pentagonal bipyramids that share corners with three equivalent Li(2)F5 trigonal bipyramids, edges with two equivalent V(1)F7 pentagonal bipyramids, and  an edgeedge with one Li(2)F5 trigonal bipyramid. There are five inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form distorted FLi2V2 trigonal pyramids that share corners with four equivalent F(4)Li3V tetrahedra, corners with two equivalent F(1)Li2V2 trigonal pyramids, corners with two equivalent F(2)Li2V2 trigonal pyramids, corners with two equivalent F(3)Li3V trigonal pyramids,  an edgeedge with one F(1)Li2V2 trigonal pyramid,  an edgeedge with one F(3)Li3V trigonal pyramid, and edges with three equivalent F(2)Li2V2 trigonal pyramids. In the second F site, F(2) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form distorted FLi2V2 trigonal pyramids that share corners with two equivalent F(4)Li3V tetrahedra, corners with two equivalent F(1)Li2V2 trigonal pyramids, corners with two equivalent F(2)Li2V2 trigonal pyramids, corners with four equivalent F(3)Li3V trigonal pyramids,  an edgeedge with one F(4)Li3V tetrahedra,  an edgeedge with one F(2)Li2V2 trigonal pyramid, and edges with three equivalent F(1)Li2V2 trigonal pyramids. In the third F site, F(3) 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 two equivalent F(4)Li3V tetrahedra, corners with two equivalent F(1)Li2V2 trigonal pyramids, corners with four equivalent F(2)Li2V2 trigonal pyramids, edges with two equivalent F(4)Li3V tetrahedra,  an edgeedge with one F(1)Li2V2 trigonal pyramid, and  an edgeedge with one F(3)Li3V trigonal pyramid. In the fourth F site, F(4) is bonded to one Li(1), two equivalent Li(2), and one V(1) atom to form distorted FLi3V tetrahedra that share corners with two equivalent F(2)Li2V2 trigonal pyramids, corners with two equivalent F(3)Li3V trigonal pyramids, corners with four equivalent F(1)Li2V2 trigonal pyramids,  an edgeedge with one F(4)Li3V tetrahedra,  an edgeedge with one F(2)Li2V2 trigonal pyramid, and edges with two equivalent F(3)Li3V trigonal pyramids. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Li(2) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.174
_cell_length_b   7.145
_cell_length_c   10.055
_cell_angle_alpha   77.170
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   362.436
_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  0.241  0.134  0.003  1.0
  Li  Li1  1  0.751  0.481  0.932  1.0
  Li  Li2  1  0.251  0.519  0.568  1.0
  Li  Li3  1  0.741  0.866  0.497  1.0
  Li  Li4  1  0.259  0.134  0.503  1.0
  Li  Li5  1  0.749  0.481  0.432  1.0
  Li  Li6  1  0.249  0.519  0.068  1.0
  Li  Li7  1  0.759  0.866  0.997  1.0
  V  V8  1  0.268  0.836  0.799  1.0
  V  V9  1  0.768  0.164  0.701  1.0
  V  V10  1  0.232  0.836  0.299  1.0
  V  V11  1  0.732  0.164  0.201  1.0
  F  F12  1  0.030  0.053  0.858  1.0
  F  F13  1  0.513  0.050  0.857  1.0
  F  F14  1  0.013  0.950  0.643  1.0
  F  F15  1  0.012  0.692  0.935  1.0
  F  F16  1  0.506  0.691  0.945  1.0
  F  F17  1  0.530  0.947  0.642  1.0
  F  F18  1  0.278  0.613  0.727  1.0
  F  F19  1  0.778  0.387  0.773  1.0
  F  F20  1  0.006  0.309  0.555  1.0
  F  F21  1  0.512  0.308  0.565  1.0
  F  F22  1  0.488  0.692  0.435  1.0
  F  F23  1  0.994  0.691  0.445  1.0
  F  F24  1  0.222  0.613  0.227  1.0
  F  F25  1  0.722  0.387  0.273  1.0
  F  F26  1  0.470  0.053  0.358  1.0
  F  F27  1  0.494  0.309  0.055  1.0
  F  F28  1  0.988  0.308  0.065  1.0
  F  F29  1  0.987  0.050  0.357  1.0
  F  F30  1  0.487  0.950  0.143  1.0
  F  F31  1  0.970  0.947  0.142  1.0
[/CIF]
.
The crystal structure described by Li2VF5 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 6-coordinate geometry to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms. In the second Li site, Li(2) is bonded to one F(5), two equivalent F(3), and two equivalent F(4) atoms to form distorted LiF5 trigonal bipyramids that share corners with three equivalent V(1)F7 pentagonal bipyramids,  an edgeedge with one V(1)F7 pentagonal bipyramid, and edges with two equivalent Li(2)F5 trigonal bipyramids. V(1) is bonded to one F(3), one F(4), one F(5), two equivalent F(1), and two equivalent F(2) atoms to form distorted VF7 pentagonal bipyramids that share corners with three equivalent Li(2)F5 trigonal bipyramids, edges with two equivalent V(1)F7 pentagonal bipyramids, and  an edgeedge with one Li(2)F5 trigonal bipyramid. There are five inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form distorted FLi2V2 trigonal pyramids that share corners with four equivalent F(4)Li3V tetrahedra, corners with two equivalent F(1)Li2V2 trigonal pyramids, corners with two equivalent F(2)Li2V2 trigonal pyramids, corners with two equivalent F(3)Li3V trigonal pyramids,  an edgeedge with one F(1)Li2V2 trigonal pyramid,  an edgeedge with one F(3)Li3V trigonal pyramid, and edges with three equivalent F(2)Li2V2 trigonal pyramids. In the second F site, F(2) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form distorted FLi2V2 trigonal pyramids that share corners with two equivalent F(4)Li3V tetrahedra, corners with two equivalent F(1)Li2V2 trigonal pyramids, corners with two equivalent F(2)Li2V2 trigonal pyramids, corners with four equivalent F(3)Li3V trigonal pyramids,  an edgeedge with one F(4)Li3V tetrahedra,  an edgeedge with one F(2)Li2V2 trigonal pyramid, and edges with three equivalent F(1)Li2V2 trigonal pyramids. In the third F site, F(3) 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 two equivalent F(4)Li3V tetrahedra, corners with two equivalent F(1)Li2V2 trigonal pyramids, corners with four equivalent F(2)Li2V2 trigonal pyramids, edges with two equivalent F(4)Li3V tetrahedra,  an edgeedge with one F(1)Li2V2 trigonal pyramid, and  an edgeedge with one F(3)Li3V trigonal pyramid. In the fourth F site, F(4) is bonded to one Li(1), two equivalent Li(2), and one V(1) atom to form distorted FLi3V tetrahedra that share corners with two equivalent F(2)Li2V2 trigonal pyramids, corners with two equivalent F(3)Li3V trigonal pyramids, corners with four equivalent F(1)Li2V2 trigonal pyramids,  an edgeedge with one F(4)Li3V tetrahedra,  an edgeedge with one F(2)Li2V2 trigonal pyramid, and edges with two equivalent F(3)Li3V trigonal pyramids. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Li(2) and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.174
_cell_length_b   7.145
_cell_length_c   10.055
_cell_angle_alpha   77.170
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   362.436
_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  0.241  0.134  0.003  1.0
  Li  Li1  1  0.751  0.481  0.932  1.0
  Li  Li2  1  0.251  0.519  0.568  1.0
  Li  Li3  1  0.741  0.866  0.497  1.0
  Li  Li4  1  0.259  0.134  0.503  1.0
  Li  Li5  1  0.749  0.481  0.432  1.0
  Li  Li6  1  0.249  0.519  0.068  1.0
  Li  Li7  1  0.759  0.866  0.997  1.0
  V  V8  1  0.268  0.836  0.799  1.0
  V  V9  1  0.768  0.164  0.701  1.0
  V  V10  1  0.232  0.836  0.299  1.0
  V  V11  1  0.732  0.164  0.201  1.0
  F  F12  1  0.030  0.053  0.858  1.0
  F  F13  1  0.513  0.050  0.857  1.0
  F  F14  1  0.013  0.950  0.643  1.0
  F  F15  1  0.012  0.692  0.935  1.0
  F  F16  1  0.506  0.691  0.945  1.0
  F  F17  1  0.530  0.947  0.642  1.0
  F  F18  1  0.278  0.613  0.727  1.0
  F  F19  1  0.778  0.387  0.773  1.0
  F  F20  1  0.006  0.309  0.555  1.0
  F  F21  1  0.512  0.308  0.565  1.0
  F  F22  1  0.488  0.692  0.435  1.0
  F  F23  1  0.994  0.691  0.445  1.0
  F  F24  1  0.222  0.613  0.227  1.0
  F  F25  1  0.722  0.387  0.273  1.0
  F  F26  1  0.470  0.053  0.358  1.0
  F  F27  1  0.494  0.309  0.055  1.0
  F  F28  1  0.988  0.308  0.065  1.0
  F  F29  1  0.987  0.050  0.357  1.0
  F  F30  1  0.487  0.950  0.143  1.0
  F  F31  1  0.970  0.947  0.142  1.0
[/CIF]
.