The structure described by Li2VF5 crystallizes in the monoclinic Pc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(3), one F(4), and one F(5) atom to form distorted LiF4 tetrahedra that share corners with two equivalent V(1)F6 octahedra, corners with two equivalent V(2)F6 octahedra,  a cornercorner with one Li(2)F5 trigonal bipyramid, and  an edgeedge with one Li(2)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 23-59°. In the second Li site, Li(2) is bonded to one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form LiF5 trigonal bipyramids that share  a cornercorner with one V(1)F6 octahedra,  a cornercorner with one Li(1)F4 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra,  an edgeedge with one V(1)F6 octahedra,  an edgeedge with one V(2)F6 octahedra, and  an edgeedge with one Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles are 66°. In the third Li site, Li(3) is bonded to one F(10), one F(6), one F(7), and one F(8) atom to form LiF4 tetrahedra that share corners with two equivalent V(1)F6 octahedra, corners with two equivalent V(2)F6 octahedra, and corners with two equivalent Li(2)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 17-55°. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one F(1), one F(10), one F(2), and one F(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one F(10), one F(3), one F(4), one F(6), and two equivalent F(2) atoms to form VF6 octahedra that share corners with two equivalent V(1)F6 octahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra,  a cornercorner with one Li(2)F5 trigonal bipyramid, and  an edgeedge with one Li(2)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 39°. In the second V site, V(2) is bonded to one F(1), one F(5), one F(7), one F(8), and two equivalent F(9) atoms to form VF6 octahedra that share corners with two equivalent V(2)F6 octahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra, and  an edgeedge with one Li(2)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 25°. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Li(1), one Li(4), and one V(2) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(4) and two equivalent V(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(2), and one V(1) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the fifth F site, F(5) is bonded in a T-shaped geometry to one Li(1), one Li(2), and one V(2) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one V(1) atom. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Li(2), one Li(3), and one V(2) atom. In the eighth F site, F(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Li(4), and one V(2) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the tenth F site, F(10) is bonded in a T-shaped geometry to one Li(3), one Li(4), 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   6.951
_cell_length_b   7.482
_cell_length_c   7.818
_cell_angle_alpha   89.402
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   406.541
_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  0.518  0.751  0.981  1.0
  Li  Li1  1  0.482  0.751  0.481  1.0
  Li  Li2  1  0.262  0.529  0.814  1.0
  Li  Li3  1  0.738  0.529  0.314  1.0
  Li  Li4  1  0.003  0.262  0.541  1.0
  Li  Li5  1  0.997  0.262  0.041  1.0
  Li  Li6  1  0.809  0.002  0.799  1.0
  Li  Li7  1  0.191  0.002  0.299  1.0
  V  V8  1  0.012  0.743  0.596  1.0
  V  V9  1  0.988  0.743  0.096  1.0
  V  V10  1  0.519  0.254  0.899  1.0
  V  V11  1  0.481  0.254  0.399  1.0
  F  F12  1  0.546  0.991  0.882  1.0
  F  F13  1  0.454  0.991  0.382  1.0
  F  F14  1  0.904  0.764  0.844  1.0
  F  F15  1  0.096  0.764  0.344  1.0
  F  F16  1  0.283  0.755  0.658  1.0
  F  F17  1  0.717  0.755  0.158  1.0
  F  F18  1  0.755  0.700  0.517  1.0
  F  F19  1  0.245  0.700  0.017  1.0
  F  F20  1  0.533  0.513  0.877  1.0
  F  F21  1  0.467  0.513  0.377  1.0
  F  F22  1  0.056  0.490  0.639  1.0
  F  F23  1  0.944  0.490  0.139  1.0
  F  F24  1  0.244  0.292  0.938  1.0
  F  F25  1  0.756  0.292  0.438  1.0
  F  F26  1  0.803  0.239  0.862  1.0
  F  F27  1  0.197  0.239  0.362  1.0
  F  F28  1  0.437  0.252  0.650  1.0
  F  F29  1  0.563  0.252  0.150  1.0
  F  F30  1  0.978  0.001  0.597  1.0
  F  F31  1  0.022  0.001  0.097  1.0
[/CIF]
.
The structure described by Li2VF5 crystallizes in the monoclinic Pc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(3), one F(4), and one F(5) atom to form distorted LiF4 tetrahedra that share corners with two equivalent V(1)F6 octahedra, corners with two equivalent V(2)F6 octahedra,  a cornercorner with one Li(2)F5 trigonal bipyramid, and  an edgeedge with one Li(2)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 23-59°. In the second Li site, Li(2) is bonded to one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form LiF5 trigonal bipyramids that share  a cornercorner with one V(1)F6 octahedra,  a cornercorner with one Li(1)F4 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra,  an edgeedge with one V(1)F6 octahedra,  an edgeedge with one V(2)F6 octahedra, and  an edgeedge with one Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles are 66°. In the third Li site, Li(3) is bonded to one F(10), one F(6), one F(7), and one F(8) atom to form LiF4 tetrahedra that share corners with two equivalent V(1)F6 octahedra, corners with two equivalent V(2)F6 octahedra, and corners with two equivalent Li(2)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 17-55°. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one F(1), one F(10), one F(2), and one F(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one F(10), one F(3), one F(4), one F(6), and two equivalent F(2) atoms to form VF6 octahedra that share corners with two equivalent V(1)F6 octahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra,  a cornercorner with one Li(2)F5 trigonal bipyramid, and  an edgeedge with one Li(2)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 39°. In the second V site, V(2) is bonded to one F(1), one F(5), one F(7), one F(8), and two equivalent F(9) atoms to form VF6 octahedra that share corners with two equivalent V(2)F6 octahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra, and  an edgeedge with one Li(2)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 25°. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Li(1), one Li(4), and one V(2) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(4) and two equivalent V(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(2), and one V(1) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the fifth F site, F(5) is bonded in a T-shaped geometry to one Li(1), one Li(2), and one V(2) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one V(1) atom. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Li(2), one Li(3), and one V(2) atom. In the eighth F site, F(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Li(4), and one V(2) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the tenth F site, F(10) is bonded in a T-shaped geometry to one Li(3), one Li(4), 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   6.951
_cell_length_b   7.482
_cell_length_c   7.818
_cell_angle_alpha   89.402
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   406.541
_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  0.518  0.751  0.981  1.0
  Li  Li1  1  0.482  0.751  0.481  1.0
  Li  Li2  1  0.262  0.529  0.814  1.0
  Li  Li3  1  0.738  0.529  0.314  1.0
  Li  Li4  1  0.003  0.262  0.541  1.0
  Li  Li5  1  0.997  0.262  0.041  1.0
  Li  Li6  1  0.809  0.002  0.799  1.0
  Li  Li7  1  0.191  0.002  0.299  1.0
  V  V8  1  0.012  0.743  0.596  1.0
  V  V9  1  0.988  0.743  0.096  1.0
  V  V10  1  0.519  0.254  0.899  1.0
  V  V11  1  0.481  0.254  0.399  1.0
  F  F12  1  0.546  0.991  0.882  1.0
  F  F13  1  0.454  0.991  0.382  1.0
  F  F14  1  0.904  0.764  0.844  1.0
  F  F15  1  0.096  0.764  0.344  1.0
  F  F16  1  0.283  0.755  0.658  1.0
  F  F17  1  0.717  0.755  0.158  1.0
  F  F18  1  0.755  0.700  0.517  1.0
  F  F19  1  0.245  0.700  0.017  1.0
  F  F20  1  0.533  0.513  0.877  1.0
  F  F21  1  0.467  0.513  0.377  1.0
  F  F22  1  0.056  0.490  0.639  1.0
  F  F23  1  0.944  0.490  0.139  1.0
  F  F24  1  0.244  0.292  0.938  1.0
  F  F25  1  0.756  0.292  0.438  1.0
  F  F26  1  0.803  0.239  0.862  1.0
  F  F27  1  0.197  0.239  0.362  1.0
  F  F28  1  0.437  0.252  0.650  1.0
  F  F29  1  0.563  0.252  0.150  1.0
  F  F30  1  0.978  0.001  0.597  1.0
  F  F31  1  0.022  0.001  0.097  1.0
[/CIF]
.