The material 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 to one F(1), one F(2), one F(3), and one F(4) atom to form distorted LiF4 tetrahedra that share corners with three equivalent V(1)F6 octahedra,  a cornercorner with one Li(2)F4 tetrahedra,  an edgeedge with one V(1)F6 octahedra, and  an edgeedge with one Li(2)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-62°. In the second Li site, Li(2) is bonded to one F(1), one F(2), one F(4), and one F(5) atom to form LiF4 tetrahedra that share corners with four equivalent V(1)F6 octahedra,  a cornercorner with one Li(1)F4 tetrahedra, and  an edgeedge with one Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-52°. V(1) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form VF6 octahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with four equivalent Li(2)F4 tetrahedra,  an edgeedge with one V(1)F6 octahedra, and  an edgeedge with one Li(1)F4 tetrahedra. There are five inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Li(2) and one V(1) atom. is represented by the CIF card [CIF]
data_Li2VF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.737
_cell_length_b   5.836
_cell_length_c   7.835
_cell_angle_alpha   73.708
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   427.333
_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  0.806  0.859  0.483  1.0
  Li  Li1  1  0.177  0.666  0.627  1.0
  Li  Li2  1  0.694  0.859  0.983  1.0
  Li  Li3  1  0.323  0.666  0.127  1.0
  Li  Li4  1  0.677  0.334  0.873  1.0
  Li  Li5  1  0.306  0.141  0.017  1.0
  Li  Li6  1  0.823  0.334  0.373  1.0
  Li  Li7  1  0.194  0.141  0.517  1.0
  V  V8  1  0.493  0.870  0.710  1.0
  V  V9  1  0.007  0.870  0.210  1.0
  V  V10  1  0.993  0.130  0.790  1.0
  V  V11  1  0.507  0.130  0.290  1.0
  F  F12  1  0.125  0.899  0.746  1.0
  F  F13  1  0.384  0.915  0.906  1.0
  F  F14  1  0.375  0.899  0.246  1.0
  F  F15  1  0.116  0.915  0.406  1.0
  F  F16  1  0.609  0.870  0.492  1.0
  F  F17  1  0.617  0.635  0.876  1.0
  F  F18  1  0.369  0.636  0.676  1.0
  F  F19  1  0.891  0.870  0.992  1.0
  F  F20  1  0.883  0.635  0.376  1.0
  F  F21  1  0.869  0.364  0.824  1.0
  F  F22  1  0.131  0.636  0.176  1.0
  F  F23  1  0.117  0.365  0.624  1.0
  F  F24  1  0.109  0.130  0.008  1.0
  F  F25  1  0.631  0.364  0.324  1.0
  F  F26  1  0.383  0.365  0.124  1.0
  F  F27  1  0.391  0.130  0.508  1.0
  F  F28  1  0.884  0.085  0.594  1.0
  F  F29  1  0.625  0.101  0.754  1.0
  F  F30  1  0.616  0.085  0.094  1.0
  F  F31  1  0.875  0.101  0.254  1.0
[/CIF]
.
The material 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 to one F(1), one F(2), one F(3), and one F(4) atom to form distorted LiF4 tetrahedra that share corners with three equivalent V(1)F6 octahedra,  a cornercorner with one Li(2)F4 tetrahedra,  an edgeedge with one V(1)F6 octahedra, and  an edgeedge with one Li(2)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-62°. In the second Li site, Li(2) is bonded to one F(1), one F(2), one F(4), and one F(5) atom to form LiF4 tetrahedra that share corners with four equivalent V(1)F6 octahedra,  a cornercorner with one Li(1)F4 tetrahedra, and  an edgeedge with one Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-52°. V(1) is bonded to one F(1), one F(2), one F(4), one F(5), and two equivalent F(3) atoms to form VF6 octahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with four equivalent Li(2)F4 tetrahedra,  an edgeedge with one V(1)F6 octahedra, and  an edgeedge with one Li(1)F4 tetrahedra. There are five inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one V(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Li(2) and one V(1) atom. is represented by the CIF card [CIF]
data_Li2VF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.737
_cell_length_b   5.836
_cell_length_c   7.835
_cell_angle_alpha   73.708
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   427.333
_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  0.806  0.859  0.483  1.0
  Li  Li1  1  0.177  0.666  0.627  1.0
  Li  Li2  1  0.694  0.859  0.983  1.0
  Li  Li3  1  0.323  0.666  0.127  1.0
  Li  Li4  1  0.677  0.334  0.873  1.0
  Li  Li5  1  0.306  0.141  0.017  1.0
  Li  Li6  1  0.823  0.334  0.373  1.0
  Li  Li7  1  0.194  0.141  0.517  1.0
  V  V8  1  0.493  0.870  0.710  1.0
  V  V9  1  0.007  0.870  0.210  1.0
  V  V10  1  0.993  0.130  0.790  1.0
  V  V11  1  0.507  0.130  0.290  1.0
  F  F12  1  0.125  0.899  0.746  1.0
  F  F13  1  0.384  0.915  0.906  1.0
  F  F14  1  0.375  0.899  0.246  1.0
  F  F15  1  0.116  0.915  0.406  1.0
  F  F16  1  0.609  0.870  0.492  1.0
  F  F17  1  0.617  0.635  0.876  1.0
  F  F18  1  0.369  0.636  0.676  1.0
  F  F19  1  0.891  0.870  0.992  1.0
  F  F20  1  0.883  0.635  0.376  1.0
  F  F21  1  0.869  0.364  0.824  1.0
  F  F22  1  0.131  0.636  0.176  1.0
  F  F23  1  0.117  0.365  0.624  1.0
  F  F24  1  0.109  0.130  0.008  1.0
  F  F25  1  0.631  0.364  0.324  1.0
  F  F26  1  0.383  0.365  0.124  1.0
  F  F27  1  0.391  0.130  0.508  1.0
  F  F28  1  0.884  0.085  0.594  1.0
  F  F29  1  0.625  0.101  0.754  1.0
  F  F30  1  0.616  0.085  0.094  1.0
  F  F31  1  0.875  0.101  0.254  1.0
[/CIF]
.