The crystal structure described by Li3V2(O2F)2 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one F(1), one F(2), and one F(3) atom to form LiOF3 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Li(2)OF3 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra, corners with two equivalent Li(5)OF3 tetrahedra,  an edgeedge with one Li(4)OF3 tetrahedra, and  an edgeedge with one Li(6)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 45-67°. In the second Li site, Li(2) is bonded to one O(4), one F(1), one F(2), and one F(4) atom to form LiOF3 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Li(1)OF3 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra, corners with two equivalent Li(6)OF3 tetrahedra,  an edgeedge with one Li(3)OF3 tetrahedra, and  an edgeedge with one Li(5)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 44-67°. In the third Li site, Li(3) is bonded to one O(6), one F(1), one F(3), and one F(4) atom to form LiOF3 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one Li(4)OF3 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra, corners with two equivalent Li(5)OF3 tetrahedra, corners with two equivalent Li(6)OF3 tetrahedra,  an edgeedge with one Li(2)OF3 tetrahedra, and  an edgeedge with one Li(4)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 46-67°. In the fourth Li site, Li(4) is bonded to one O(5), one F(1), one F(3), and one F(4) atom to form LiOF3 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one Li(3)OF3 tetrahedra, corners with two equivalent Li(2)OF3 tetrahedra, corners with two equivalent Li(5)OF3 tetrahedra, corners with two equivalent Li(6)OF3 tetrahedra,  an edgeedge with one Li(1)OF3 tetrahedra, and  an edgeedge with one Li(3)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 45-67°. In the fifth Li site, Li(5) is bonded to one O(8), one F(2), one F(3), and one F(4) atom to form LiOF3 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Li(6)OF3 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra,  an edgeedge with one Li(2)OF3 tetrahedra, and  an edgeedge with one Li(6)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 46-66°. In the sixth Li site, Li(6) is bonded to one O(7), one F(2), one F(3), and one F(4) atom to form LiOF3 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Li(5)OF3 tetrahedra, corners with two equivalent Li(2)OF3 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra,  an edgeedge with one Li(1)OF3 tetrahedra, and  an edgeedge with one Li(5)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 45-67°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Li(3)OF3 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra,  a cornercorner with one Li(5)OF3 tetrahedra,  a cornercorner with one Li(6)OF3 tetrahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(2)OF3 tetrahedra,  a cornercorner with one Li(3)OF3 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra,  a cornercorner with one Li(5)OF3 tetrahedra,  a cornercorner with one Li(6)OF3 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the third V site, V(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Li(2)OF3 tetrahedra,  a cornercorner with one Li(5)OF3 tetrahedra,  a cornercorner with one Li(6)OF3 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the fourth V site, V(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Li(2)OF3 tetrahedra,  a cornercorner with one Li(3)OF3 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(3), and one V(4) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one V(3), and one V(4) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(3), and one V(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one V(3), and one V(4) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one V(1), one V(2), and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(1), one V(2), and one V(4) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(6), one V(1), one V(2), and one V(3) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one V(1), one V(2), and one V(3) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a square co-planar geometry to one Li(1), one Li(2), one Li(3), and one Li(4) atom. In the second F site, F(2) is bonded in a square co-planar geometry to one Li(1), one Li(2), one Li(5), and one Li(6) atom. In the third F site, F(3) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), and one Li(6) atom to form distorted edge-sharing FLi5 trigonal bipyramids. In the fourth F site, F(4) is bonded to one Li(2), one Li(3), one Li(4), one Li(5), and one Li(6) atom to form distorted edge-sharing FLi5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Li3V2(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.130
_cell_length_b   8.076
_cell_length_c   6.111
_cell_angle_alpha   90.119
_cell_angle_beta   90.043
_cell_angle_gamma   107.725
_symmetry_Int_Tables_number   1
_cell_volume   241.151
_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  0.930  0.618  0.250  1.0
  Li  Li1  1  0.074  0.381  0.750  1.0
  Li  Li2  1  0.388  0.621  0.001  1.0
  Li  Li3  1  0.616  0.379  0.999  1.0
  Li  Li4  1  0.388  0.621  0.500  1.0
  Li  Li5  1  0.615  0.379  0.500  1.0
  V  V6  1  0.499  0.002  0.250  1.0
  V  V7  1  0.497  0.999  0.750  1.0
  V  V8  1  0.998  0.000  0.500  1.0
  V  V9  1  0.998  0.000  1.000  1.0
  O  O10  1  0.873  0.123  0.251  1.0
  O  O11  1  0.124  0.877  0.749  1.0
  O  O12  1  0.122  0.864  0.249  1.0
  O  O13  1  0.874  0.137  0.751  1.0
  O  O14  1  0.404  0.136  0.004  1.0
  O  O15  1  0.592  0.865  0.997  1.0
  O  O16  1  0.404  0.136  0.498  1.0
  O  O17  1  0.592  0.865  0.503  1.0
  F  F18  1  0.002  0.499  1.000  1.0
  F  F19  1  0.002  0.499  0.499  1.0
  F  F20  1  0.541  0.518  0.250  1.0
  F  F21  1  0.465  0.484  0.751  1.0
[/CIF]
.
The crystal structure described by Li3V2(O2F)2 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one F(1), one F(2), and one F(3) atom to form LiOF3 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Li(2)OF3 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra, corners with two equivalent Li(5)OF3 tetrahedra,  an edgeedge with one Li(4)OF3 tetrahedra, and  an edgeedge with one Li(6)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 45-67°. In the second Li site, Li(2) is bonded to one O(4), one F(1), one F(2), and one F(4) atom to form LiOF3 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Li(1)OF3 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra, corners with two equivalent Li(6)OF3 tetrahedra,  an edgeedge with one Li(3)OF3 tetrahedra, and  an edgeedge with one Li(5)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 44-67°. In the third Li site, Li(3) is bonded to one O(6), one F(1), one F(3), and one F(4) atom to form LiOF3 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one Li(4)OF3 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra, corners with two equivalent Li(5)OF3 tetrahedra, corners with two equivalent Li(6)OF3 tetrahedra,  an edgeedge with one Li(2)OF3 tetrahedra, and  an edgeedge with one Li(4)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 46-67°. In the fourth Li site, Li(4) is bonded to one O(5), one F(1), one F(3), and one F(4) atom to form LiOF3 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one Li(3)OF3 tetrahedra, corners with two equivalent Li(2)OF3 tetrahedra, corners with two equivalent Li(5)OF3 tetrahedra, corners with two equivalent Li(6)OF3 tetrahedra,  an edgeedge with one Li(1)OF3 tetrahedra, and  an edgeedge with one Li(3)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 45-67°. In the fifth Li site, Li(5) is bonded to one O(8), one F(2), one F(3), and one F(4) atom to form LiOF3 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Li(6)OF3 tetrahedra, corners with two equivalent Li(1)OF3 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra,  an edgeedge with one Li(2)OF3 tetrahedra, and  an edgeedge with one Li(6)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 46-66°. In the sixth Li site, Li(6) is bonded to one O(7), one F(2), one F(3), and one F(4) atom to form LiOF3 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Li(5)OF3 tetrahedra, corners with two equivalent Li(2)OF3 tetrahedra, corners with two equivalent Li(3)OF3 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra,  an edgeedge with one Li(1)OF3 tetrahedra, and  an edgeedge with one Li(5)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 45-67°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Li(3)OF3 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra,  a cornercorner with one Li(5)OF3 tetrahedra,  a cornercorner with one Li(6)OF3 tetrahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(2)OF3 tetrahedra,  a cornercorner with one Li(3)OF3 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra,  a cornercorner with one Li(5)OF3 tetrahedra,  a cornercorner with one Li(6)OF3 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the third V site, V(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Li(2)OF3 tetrahedra,  a cornercorner with one Li(5)OF3 tetrahedra,  a cornercorner with one Li(6)OF3 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the fourth V site, V(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(1)OF3 tetrahedra,  a cornercorner with one Li(2)OF3 tetrahedra,  a cornercorner with one Li(3)OF3 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(3), and one V(4) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one V(3), and one V(4) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(3), and one V(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(2), one V(3), and one V(4) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one V(1), one V(2), and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one V(1), one V(2), and one V(4) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(6), one V(1), one V(2), and one V(3) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one V(1), one V(2), and one V(3) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a square co-planar geometry to one Li(1), one Li(2), one Li(3), and one Li(4) atom. In the second F site, F(2) is bonded in a square co-planar geometry to one Li(1), one Li(2), one Li(5), and one Li(6) atom. In the third F site, F(3) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), and one Li(6) atom to form distorted edge-sharing FLi5 trigonal bipyramids. In the fourth F site, F(4) is bonded to one Li(2), one Li(3), one Li(4), one Li(5), and one Li(6) atom to form distorted edge-sharing FLi5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Li3V2(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.130
_cell_length_b   8.076
_cell_length_c   6.111
_cell_angle_alpha   90.119
_cell_angle_beta   90.043
_cell_angle_gamma   107.725
_symmetry_Int_Tables_number   1
_cell_volume   241.151
_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  0.930  0.618  0.250  1.0
  Li  Li1  1  0.074  0.381  0.750  1.0
  Li  Li2  1  0.388  0.621  0.001  1.0
  Li  Li3  1  0.616  0.379  0.999  1.0
  Li  Li4  1  0.388  0.621  0.500  1.0
  Li  Li5  1  0.615  0.379  0.500  1.0
  V  V6  1  0.499  0.002  0.250  1.0
  V  V7  1  0.497  0.999  0.750  1.0
  V  V8  1  0.998  0.000  0.500  1.0
  V  V9  1  0.998  0.000  1.000  1.0
  O  O10  1  0.873  0.123  0.251  1.0
  O  O11  1  0.124  0.877  0.749  1.0
  O  O12  1  0.122  0.864  0.249  1.0
  O  O13  1  0.874  0.137  0.751  1.0
  O  O14  1  0.404  0.136  0.004  1.0
  O  O15  1  0.592  0.865  0.997  1.0
  O  O16  1  0.404  0.136  0.498  1.0
  O  O17  1  0.592  0.865  0.503  1.0
  F  F18  1  0.002  0.499  1.000  1.0
  F  F19  1  0.002  0.499  0.499  1.0
  F  F20  1  0.541  0.518  0.250  1.0
  F  F21  1  0.465  0.484  0.751  1.0
[/CIF]
.