The compound described by Li2V2OF6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(11), one F(2), and one F(5) atom to form LiF4 tetrahedra that share  a cornercorner with one V(2)O2F4 octahedra,  a cornercorner with one V(3)OF5 octahedra, corners with two equivalent V(1)OF5 octahedra, corners with two equivalent V(4)OF5 octahedra, and corners with two equivalent Li(2)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-59°. In the second Li site, Li(2) is bonded to one F(1), one F(3), one F(4), and one F(5) atom to form LiF4 tetrahedra that share  a cornercorner with one V(4)OF5 octahedra, corners with two equivalent V(2)O2F4 octahedra, corners with two equivalent V(1)OF5 octahedra, and corners with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the third Li site, Li(3) is bonded to one F(12), one F(7), one F(8), and one F(9) atom to form LiF4 tetrahedra that share  a cornercorner with one V(1)OF5 octahedra, corners with two equivalent V(3)OF5 octahedra, corners with two equivalent V(4)OF5 octahedra, and corners with two equivalent Li(4)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 39-60°. In the fourth Li site, Li(4) is bonded to one O(1), one F(10), one F(12), and one F(7) atom to form LiOF3 tetrahedra that share  a cornercorner with one V(2)O2F4 octahedra,  a cornercorner with one V(3)OF5 octahedra, corners with two equivalent V(1)OF5 octahedra, corners with two equivalent V(4)OF5 octahedra, and corners with two equivalent Li(3)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-61°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(12), one F(2), one F(4), one F(5), and one F(6) atom to form VOF5 octahedra that share  a cornercorner with one V(3)OF5 octahedra,  a cornercorner with one Li(3)F4 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra, and edges with two equivalent V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 13°. In the second V site, V(2) is bonded to one O(1), one O(2), one F(2), one F(3), one F(4), and one F(6) atom to form distorted VO2F4 octahedra that share  a cornercorner with one V(4)OF5 octahedra,  a cornercorner with one Li(1)F4 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one V(3)OF5 octahedra, and edges with two equivalent V(1)OF5 octahedra. The corner-sharing octahedral tilt angles are 26°. In the third V site, V(3) is bonded to one O(2), one F(10), one F(11), one F(6), one F(8), and one F(9) atom to form VOF5 octahedra that share  a cornercorner with one V(1)OF5 octahedra,  a cornercorner with one Li(1)F4 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra,  an edgeedge with one V(2)O2F4 octahedra, and edges with two equivalent V(4)OF5 octahedra. The corner-sharing octahedral tilt angles are 13°. In the fourth V site, V(4) is bonded to one O(2), one F(1), one F(10), one F(11), one F(7), and one F(8) atom to form VOF5 octahedra that share  a cornercorner with one V(2)O2F4 octahedra,  a cornercorner with one Li(2)F4 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra, and edges with two equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles are 26°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(4), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(4) atom. There are twelve inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one V(4) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(2) and one V(2) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one V(2) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the sixth F site, F(6) is bonded in a T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Li(3), one Li(4), and one V(4) atom. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Li(3), one V(3), and one V(4) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Li(3) and one V(3) atom. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Li(4), one V(3), and one V(4) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one V(4) atom. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to one Li(3), one Li(4), and one V(1) atom. is represented by the CIF file [CIF]
data_Li2V2OF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.321
_cell_length_b   6.902
_cell_length_c   8.466
_cell_angle_alpha   109.606
_cell_angle_beta   102.663
_cell_angle_gamma   85.911
_symmetry_Int_Tables_number   1
_cell_volume   285.775
_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  0.669  0.245  0.899  1.0
  Li  Li1  1  0.141  0.011  0.745  1.0
  Li  Li2  1  0.867  0.992  0.266  1.0
  Li  Li3  1  0.316  0.746  0.086  1.0
  V  V4  1  0.730  0.719  0.824  1.0
  V  V5  1  0.176  0.478  0.668  1.0
  V  V6  1  0.836  0.517  0.332  1.0
  V  V7  1  0.287  0.286  0.197  1.0
  O  O8  1  0.062  0.618  0.877  1.0
  O  O9  1  0.169  0.421  0.411  1.0
  F  F10  1  0.365  0.184  0.964  1.0
  F  F11  1  0.550  0.441  0.783  1.0
  F  F12  1  0.083  0.198  0.623  1.0
  F  F13  1  0.349  0.759  0.708  1.0
  F  F14  1  0.825  0.986  0.817  1.0
  F  F15  1  0.799  0.587  0.579  1.0
  F  F16  1  0.171  0.018  0.182  1.0
  F  F17  1  0.665  0.243  0.298  1.0
  F  F18  1  0.920  0.793  0.372  1.0
  F  F19  1  0.453  0.554  0.220  1.0
  F  F20  1  0.927  0.380  0.097  1.0
  F  F21  1  0.640  0.824  0.056  1.0
[/CIF]
.
The compound described by Li2V2OF6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(11), one F(2), and one F(5) atom to form LiF4 tetrahedra that share  a cornercorner with one V(2)O2F4 octahedra,  a cornercorner with one V(3)OF5 octahedra, corners with two equivalent V(1)OF5 octahedra, corners with two equivalent V(4)OF5 octahedra, and corners with two equivalent Li(2)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-59°. In the second Li site, Li(2) is bonded to one F(1), one F(3), one F(4), and one F(5) atom to form LiF4 tetrahedra that share  a cornercorner with one V(4)OF5 octahedra, corners with two equivalent V(2)O2F4 octahedra, corners with two equivalent V(1)OF5 octahedra, and corners with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the third Li site, Li(3) is bonded to one F(12), one F(7), one F(8), and one F(9) atom to form LiF4 tetrahedra that share  a cornercorner with one V(1)OF5 octahedra, corners with two equivalent V(3)OF5 octahedra, corners with two equivalent V(4)OF5 octahedra, and corners with two equivalent Li(4)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 39-60°. In the fourth Li site, Li(4) is bonded to one O(1), one F(10), one F(12), and one F(7) atom to form LiOF3 tetrahedra that share  a cornercorner with one V(2)O2F4 octahedra,  a cornercorner with one V(3)OF5 octahedra, corners with two equivalent V(1)OF5 octahedra, corners with two equivalent V(4)OF5 octahedra, and corners with two equivalent Li(3)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-61°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(12), one F(2), one F(4), one F(5), and one F(6) atom to form VOF5 octahedra that share  a cornercorner with one V(3)OF5 octahedra,  a cornercorner with one Li(3)F4 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra, and edges with two equivalent V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 13°. In the second V site, V(2) is bonded to one O(1), one O(2), one F(2), one F(3), one F(4), and one F(6) atom to form distorted VO2F4 octahedra that share  a cornercorner with one V(4)OF5 octahedra,  a cornercorner with one Li(1)F4 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra,  an edgeedge with one V(3)OF5 octahedra, and edges with two equivalent V(1)OF5 octahedra. The corner-sharing octahedral tilt angles are 26°. In the third V site, V(3) is bonded to one O(2), one F(10), one F(11), one F(6), one F(8), and one F(9) atom to form VOF5 octahedra that share  a cornercorner with one V(1)OF5 octahedra,  a cornercorner with one Li(1)F4 tetrahedra,  a cornercorner with one Li(4)OF3 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra,  an edgeedge with one V(2)O2F4 octahedra, and edges with two equivalent V(4)OF5 octahedra. The corner-sharing octahedral tilt angles are 13°. In the fourth V site, V(4) is bonded to one O(2), one F(1), one F(10), one F(11), one F(7), and one F(8) atom to form VOF5 octahedra that share  a cornercorner with one V(2)O2F4 octahedra,  a cornercorner with one Li(2)F4 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra, corners with two equivalent Li(4)OF3 tetrahedra, and edges with two equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles are 26°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(4), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(4) atom. There are twelve inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one V(4) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(2) and one V(2) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(2), one V(1), and one V(2) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one V(1) atom. In the sixth F site, F(6) is bonded in a T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Li(3), one Li(4), and one V(4) atom. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Li(3), one V(3), and one V(4) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Li(3) and one V(3) atom. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Li(4), one V(3), and one V(4) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one V(4) atom. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to one Li(3), one Li(4), and one V(1) atom. is represented by the CIF file [CIF]
data_Li2V2OF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.321
_cell_length_b   6.902
_cell_length_c   8.466
_cell_angle_alpha   109.606
_cell_angle_beta   102.663
_cell_angle_gamma   85.911
_symmetry_Int_Tables_number   1
_cell_volume   285.775
_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  0.669  0.245  0.899  1.0
  Li  Li1  1  0.141  0.011  0.745  1.0
  Li  Li2  1  0.867  0.992  0.266  1.0
  Li  Li3  1  0.316  0.746  0.086  1.0
  V  V4  1  0.730  0.719  0.824  1.0
  V  V5  1  0.176  0.478  0.668  1.0
  V  V6  1  0.836  0.517  0.332  1.0
  V  V7  1  0.287  0.286  0.197  1.0
  O  O8  1  0.062  0.618  0.877  1.0
  O  O9  1  0.169  0.421  0.411  1.0
  F  F10  1  0.365  0.184  0.964  1.0
  F  F11  1  0.550  0.441  0.783  1.0
  F  F12  1  0.083  0.198  0.623  1.0
  F  F13  1  0.349  0.759  0.708  1.0
  F  F14  1  0.825  0.986  0.817  1.0
  F  F15  1  0.799  0.587  0.579  1.0
  F  F16  1  0.171  0.018  0.182  1.0
  F  F17  1  0.665  0.243  0.298  1.0
  F  F18  1  0.920  0.793  0.372  1.0
  F  F19  1  0.453  0.554  0.220  1.0
  F  F20  1  0.927  0.380  0.097  1.0
  F  F21  1  0.640  0.824  0.056  1.0
[/CIF]
.