The structure described by Li2VF6 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted LiF5 trigonal bipyramids that share corners with five equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 38-44°. In the second Li site, Li(2) is bonded in a square co-planar geometry to two equivalent F(2) and two equivalent F(3) atoms. 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 five equivalent Li(1)F5 trigonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar 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), one Li(2), and one V(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one V(1) atom. is represented by the CIF file [CIF]
data_Li2VF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.557
_cell_length_b   5.557
_cell_length_c   8.615
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.499
_symmetry_Int_Tables_number   1
_cell_volume   226.825
_cell_formula_units_Z   2
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  0.568  0.432  0.023  1.0
  Li  Li1  1  0.730  0.270  0.531  1.0
  Li  Li2  1  0.270  0.730  0.031  1.0
  Li  Li3  1  0.432  0.568  0.523  1.0
  V  V4  1  0.884  0.116  0.240  1.0
  V  V5  1  0.116  0.884  0.740  1.0
  F  F6  1  0.696  0.304  0.194  1.0
  F  F7  1  0.609  0.922  0.401  1.0
  F  F8  1  0.650  0.835  0.090  1.0
  F  F9  1  0.078  0.391  0.401  1.0
  F  F10  1  0.835  0.650  0.590  1.0
  F  F11  1  0.064  0.936  0.279  1.0
  F  F12  1  0.936  0.064  0.779  1.0
  F  F13  1  0.165  0.350  0.090  1.0
  F  F14  1  0.922  0.609  0.901  1.0
  F  F15  1  0.350  0.165  0.590  1.0
  F  F16  1  0.391  0.078  0.901  1.0
  F  F17  1  0.304  0.696  0.694  1.0
[/CIF]
.
The structure described by Li2VF6 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted LiF5 trigonal bipyramids that share corners with five equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 38-44°. In the second Li site, Li(2) is bonded in a square co-planar geometry to two equivalent F(2) and two equivalent F(3) atoms. 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 five equivalent Li(1)F5 trigonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar 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), one Li(2), and one V(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one V(1) atom. is represented by the CIF file [CIF]
data_Li2VF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.557
_cell_length_b   5.557
_cell_length_c   8.615
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.499
_symmetry_Int_Tables_number   1
_cell_volume   226.825
_cell_formula_units_Z   2
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  0.568  0.432  0.023  1.0
  Li  Li1  1  0.730  0.270  0.531  1.0
  Li  Li2  1  0.270  0.730  0.031  1.0
  Li  Li3  1  0.432  0.568  0.523  1.0
  V  V4  1  0.884  0.116  0.240  1.0
  V  V5  1  0.116  0.884  0.740  1.0
  F  F6  1  0.696  0.304  0.194  1.0
  F  F7  1  0.609  0.922  0.401  1.0
  F  F8  1  0.650  0.835  0.090  1.0
  F  F9  1  0.078  0.391  0.401  1.0
  F  F10  1  0.835  0.650  0.590  1.0
  F  F11  1  0.064  0.936  0.279  1.0
  F  F12  1  0.936  0.064  0.779  1.0
  F  F13  1  0.165  0.350  0.090  1.0
  F  F14  1  0.922  0.609  0.901  1.0
  F  F15  1  0.350  0.165  0.590  1.0
  F  F16  1  0.391  0.078  0.901  1.0
  F  F17  1  0.304  0.696  0.694  1.0
[/CIF]
.