The compound described by Li2VF4 crystallizes in the monoclinic P2/c space group. Li(1) is bonded to two equivalent F(1) and two equivalent F(2) atoms to form LiF4 tetrahedra that share corners with six equivalent V(1)F6 octahedra, corners with two equivalent Li(1)F4 tetrahedra, and  an edgeedge with one Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-72°. V(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form VF6 octahedra that share corners with twelve equivalent Li(1)F4 tetrahedra and edges with two equivalent V(1)F6 octahedra. There are two inequivalent F sites. In the first F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the second F site, F(1) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing FLi2V2 tetrahedra. is represented by the CIF file [CIF]
data_Li2VF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.193
_cell_length_b   5.261
_cell_length_c   10.683
_cell_angle_alpha   65.537
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   163.332
_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  0.079  0.164  0.574  1.0
  Li  Li1  1  0.921  0.836  0.426  1.0
  Li  Li2  1  0.921  0.164  0.074  1.0
  Li  Li3  1  0.079  0.836  0.926  1.0
  V  V4  1  0.565  0.500  0.750  1.0
  V  V5  1  0.435  0.500  0.250  1.0
  F  F6  1  0.059  0.245  0.877  1.0
  F  F7  1  0.059  0.755  0.623  1.0
  F  F8  1  0.580  0.268  0.631  1.0
  F  F9  1  0.941  0.245  0.377  1.0
  F  F10  1  0.941  0.755  0.123  1.0
  F  F11  1  0.420  0.732  0.369  1.0
  F  F12  1  0.420  0.268  0.131  1.0
  F  F13  1  0.580  0.732  0.869  1.0
[/CIF]
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The compound described by Li2VF4 crystallizes in the monoclinic P2/c space group. Li(1) is bonded to two equivalent F(1) and two equivalent F(2) atoms to form LiF4 tetrahedra that share corners with six equivalent V(1)F6 octahedra, corners with two equivalent Li(1)F4 tetrahedra, and  an edgeedge with one Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-72°. V(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form VF6 octahedra that share corners with twelve equivalent Li(1)F4 tetrahedra and edges with two equivalent V(1)F6 octahedra. There are two inequivalent F sites. In the first F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the second F site, F(1) is bonded to two equivalent Li(1) and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing FLi2V2 tetrahedra. is represented by the CIF file [CIF]
data_Li2VF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.193
_cell_length_b   5.261
_cell_length_c   10.683
_cell_angle_alpha   65.537
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   163.332
_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  0.079  0.164  0.574  1.0
  Li  Li1  1  0.921  0.836  0.426  1.0
  Li  Li2  1  0.921  0.164  0.074  1.0
  Li  Li3  1  0.079  0.836  0.926  1.0
  V  V4  1  0.565  0.500  0.750  1.0
  V  V5  1  0.435  0.500  0.250  1.0
  F  F6  1  0.059  0.245  0.877  1.0
  F  F7  1  0.059  0.755  0.623  1.0
  F  F8  1  0.580  0.268  0.631  1.0
  F  F9  1  0.941  0.245  0.377  1.0
  F  F10  1  0.941  0.755  0.123  1.0
  F  F11  1  0.420  0.732  0.369  1.0
  F  F12  1  0.420  0.268  0.131  1.0
  F  F13  1  0.580  0.732  0.869  1.0
[/CIF]
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