The crystal structure described by Li2V(OF)2 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(2), one F(3), one F(5), and one F(7) atom to form LiF4 tetrahedra that share  a cornercorner with one Li(5)O3F3 octahedra,  a cornercorner with one Li(7)O3F3 octahedra,  a cornercorner with one V(1)O3F3 octahedra, corners with two equivalent Li(6)O3F3 octahedra, corners with two equivalent Li(8)O3F3 octahedra, corners with two equivalent V(3)O3F3 octahedra, and corners with three equivalent Li(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. In the second Li site, Li(2) is bonded to one F(1), one F(4), one F(6), and one F(8) atom to form LiF4 tetrahedra that share  a cornercorner with one Li(6)O3F3 octahedra,  a cornercorner with one Li(8)O3F3 octahedra,  a cornercorner with one V(3)O3F3 octahedra, corners with two equivalent Li(5)O3F3 octahedra, corners with two equivalent Li(7)O3F3 octahedra, corners with two equivalent V(1)O3F3 octahedra, and corners with three equivalent Li(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(5), one F(2), one F(3), and one F(5) atom to form LiO3F3 octahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with three equivalent V(4)O4 tetrahedra,  an edgeedge with one Li(5)O3F3 octahedra,  an edgeedge with one Li(6)O3F3 octahedra,  an edgeedge with one Li(7)O3F3 octahedra,  an edgeedge with one Li(8)O3F3 octahedra,  an edgeedge with one V(1)O3F3 octahedra, and  an edgeedge with one V(3)O3F3 octahedra. In the fourth Li site, Li(4) is bonded to one O(2), one O(4), one O(6), one F(1), one F(4), and one F(6) atom to form LiO3F3 octahedra that share corners with three equivalent Li(2)F4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra,  an edgeedge with one Li(5)O3F3 octahedra,  an edgeedge with one Li(6)O3F3 octahedra,  an edgeedge with one Li(7)O3F3 octahedra,  an edgeedge with one Li(8)O3F3 octahedra,  an edgeedge with one V(1)O3F3 octahedra, and  an edgeedge with one V(3)O3F3 octahedra. In the fifth Li site, Li(5) is bonded to one O(1), one O(5), one O(7), one F(1), one F(4), and one F(7) atom to form LiO3F3 octahedra that share  a cornercorner with one Li(1)F4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(4)O3F3 octahedra, edges with two equivalent Li(7)O3F3 octahedra, and edges with two equivalent V(1)O3F3 octahedra. In the sixth Li site, Li(6) is bonded to one O(2), one O(6), one O(8), one F(2), one F(3), and one F(8) atom to form LiO3F3 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(4)O3F3 octahedra, edges with two equivalent Li(8)O3F3 octahedra, and edges with two equivalent V(3)O3F3 octahedra. In the seventh Li site, Li(7) is bonded to one O(1), one O(3), one O(7), one F(1), one F(6), and one F(7) atom to form LiO3F3 octahedra that share  a cornercorner with one Li(1)F4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(4)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, and edges with two equivalent V(1)O3F3 octahedra. In the eighth Li site, Li(8) is bonded to one O(2), one O(4), one O(8), one F(2), one F(5), and one F(8) atom to form LiO3F3 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(4)O3F3 octahedra, edges with two equivalent Li(6)O3F3 octahedra, and edges with two equivalent V(3)O3F3 octahedra. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(5), one O(7), one F(4), one F(6), and one F(7) atom to form VO3F3 octahedra that share  a cornercorner with one Li(1)F4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(4)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, and edges with two equivalent Li(7)O3F3 octahedra. In the second V site, V(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form VO4 tetrahedra that share  a cornercorner with one Li(5)O3F3 octahedra,  a cornercorner with one Li(7)O3F3 octahedra,  a cornercorner with one V(1)O3F3 octahedra, corners with two equivalent Li(6)O3F3 octahedra, corners with two equivalent Li(8)O3F3 octahedra, corners with two equivalent V(3)O3F3 octahedra, and corners with three equivalent Li(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. In the third V site, V(3) is bonded to one O(4), one O(6), one O(8), one F(3), one F(5), and one F(8) atom to form VO3F3 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(4)O3F3 octahedra, edges with two equivalent Li(6)O3F3 octahedra, and edges with two equivalent Li(8)O3F3 octahedra. In the fourth V site, V(4) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Li(6)O3F3 octahedra,  a cornercorner with one Li(8)O3F3 octahedra,  a cornercorner with one V(3)O3F3 octahedra, corners with two equivalent Li(5)O3F3 octahedra, corners with two equivalent Li(7)O3F3 octahedra, corners with two equivalent V(1)O3F3 octahedra, and corners with three equivalent Li(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(5), one Li(7), and one V(4) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(6), one Li(8), and one V(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(7), one V(1), and one V(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(4), one Li(8), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(5), one V(1), and one V(4) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(4), one Li(6), one V(2), and one V(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(5), one Li(7), one V(1), and one V(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(6), one Li(8), one V(3), and one V(4) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(4), one Li(5), and one Li(7) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Li(6), and one Li(8) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Li(6), and one V(3) atom. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Li(5), and one V(1) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Li(8), and one V(3) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Li(7), and one V(1) atom. In the seventh F site, F(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(5), one Li(7), and one V(1) atom. In the eighth F site, F(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(6), one Li(8), and one V(3) atom. is represented by the CIF file [CIF]
data_Li2V(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.849
_cell_length_b   5.863
_cell_length_c   5.970
_cell_angle_alpha   119.344
_cell_angle_beta   90.048
_cell_angle_gamma   119.891
_symmetry_Int_Tables_number   1
_cell_volume   146.355
_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
  F  F0  1  0.385  0.770  0.154  1.0
  F  F1  1  0.389  0.241  0.630  1.0
  F  F2  1  0.851  0.240  0.629  1.0
  F  F3  1  0.385  0.771  0.624  1.0
  Li  Li4  1  0.257  0.515  0.772  1.0
  Li  Li5  1  0.616  0.232  0.366  1.0
  Li  Li6  1  0.135  0.749  0.365  1.0
  Li  Li7  1  0.614  0.749  0.365  1.0
  O  O8  1  0.884  0.768  0.651  1.0
  O  O9  1  0.371  0.240  0.107  1.0
  O  O10  1  0.868  0.241  0.107  1.0
  O  O11  1  0.870  0.740  0.107  1.0
  V  V12  1  0.626  0.250  0.881  1.0
  V  V13  1  0.998  0.995  0.992  1.0
[/CIF]
.
The crystal structure described by Li2V(OF)2 is Spinel-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(2), one F(3), one F(5), and one F(7) atom to form LiF4 tetrahedra that share  a cornercorner with one Li(5)O3F3 octahedra,  a cornercorner with one Li(7)O3F3 octahedra,  a cornercorner with one V(1)O3F3 octahedra, corners with two equivalent Li(6)O3F3 octahedra, corners with two equivalent Li(8)O3F3 octahedra, corners with two equivalent V(3)O3F3 octahedra, and corners with three equivalent Li(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. In the second Li site, Li(2) is bonded to one F(1), one F(4), one F(6), and one F(8) atom to form LiF4 tetrahedra that share  a cornercorner with one Li(6)O3F3 octahedra,  a cornercorner with one Li(8)O3F3 octahedra,  a cornercorner with one V(3)O3F3 octahedra, corners with two equivalent Li(5)O3F3 octahedra, corners with two equivalent Li(7)O3F3 octahedra, corners with two equivalent V(1)O3F3 octahedra, and corners with three equivalent Li(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. In the third Li site, Li(3) is bonded to one O(1), one O(3), one O(5), one F(2), one F(3), and one F(5) atom to form LiO3F3 octahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with three equivalent V(4)O4 tetrahedra,  an edgeedge with one Li(5)O3F3 octahedra,  an edgeedge with one Li(6)O3F3 octahedra,  an edgeedge with one Li(7)O3F3 octahedra,  an edgeedge with one Li(8)O3F3 octahedra,  an edgeedge with one V(1)O3F3 octahedra, and  an edgeedge with one V(3)O3F3 octahedra. In the fourth Li site, Li(4) is bonded to one O(2), one O(4), one O(6), one F(1), one F(4), and one F(6) atom to form LiO3F3 octahedra that share corners with three equivalent Li(2)F4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra,  an edgeedge with one Li(5)O3F3 octahedra,  an edgeedge with one Li(6)O3F3 octahedra,  an edgeedge with one Li(7)O3F3 octahedra,  an edgeedge with one Li(8)O3F3 octahedra,  an edgeedge with one V(1)O3F3 octahedra, and  an edgeedge with one V(3)O3F3 octahedra. In the fifth Li site, Li(5) is bonded to one O(1), one O(5), one O(7), one F(1), one F(4), and one F(7) atom to form LiO3F3 octahedra that share  a cornercorner with one Li(1)F4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(4)O3F3 octahedra, edges with two equivalent Li(7)O3F3 octahedra, and edges with two equivalent V(1)O3F3 octahedra. In the sixth Li site, Li(6) is bonded to one O(2), one O(6), one O(8), one F(2), one F(3), and one F(8) atom to form LiO3F3 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(4)O3F3 octahedra, edges with two equivalent Li(8)O3F3 octahedra, and edges with two equivalent V(3)O3F3 octahedra. In the seventh Li site, Li(7) is bonded to one O(1), one O(3), one O(7), one F(1), one F(6), and one F(7) atom to form LiO3F3 octahedra that share  a cornercorner with one Li(1)F4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(4)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, and edges with two equivalent V(1)O3F3 octahedra. In the eighth Li site, Li(8) is bonded to one O(2), one O(4), one O(8), one F(2), one F(5), and one F(8) atom to form LiO3F3 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(4)O3F3 octahedra, edges with two equivalent Li(6)O3F3 octahedra, and edges with two equivalent V(3)O3F3 octahedra. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(5), one O(7), one F(4), one F(6), and one F(7) atom to form VO3F3 octahedra that share  a cornercorner with one Li(1)F4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent Li(2)F4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(4)O3F3 octahedra, edges with two equivalent Li(5)O3F3 octahedra, and edges with two equivalent Li(7)O3F3 octahedra. In the second V site, V(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form VO4 tetrahedra that share  a cornercorner with one Li(5)O3F3 octahedra,  a cornercorner with one Li(7)O3F3 octahedra,  a cornercorner with one V(1)O3F3 octahedra, corners with two equivalent Li(6)O3F3 octahedra, corners with two equivalent Li(8)O3F3 octahedra, corners with two equivalent V(3)O3F3 octahedra, and corners with three equivalent Li(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. In the third V site, V(3) is bonded to one O(4), one O(6), one O(8), one F(3), one F(5), and one F(8) atom to form VO3F3 octahedra that share  a cornercorner with one Li(2)F4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(4)O3F3 octahedra, edges with two equivalent Li(6)O3F3 octahedra, and edges with two equivalent Li(8)O3F3 octahedra. In the fourth V site, V(4) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Li(6)O3F3 octahedra,  a cornercorner with one Li(8)O3F3 octahedra,  a cornercorner with one V(3)O3F3 octahedra, corners with two equivalent Li(5)O3F3 octahedra, corners with two equivalent Li(7)O3F3 octahedra, corners with two equivalent V(1)O3F3 octahedra, and corners with three equivalent Li(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(5), one Li(7), and one V(4) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(6), one Li(8), and one V(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(7), one V(1), and one V(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(4), one Li(8), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(5), one V(1), and one V(4) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(4), one Li(6), one V(2), and one V(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(5), one Li(7), one V(1), and one V(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(6), one Li(8), one V(3), and one V(4) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(4), one Li(5), and one Li(7) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Li(6), and one Li(8) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Li(6), and one V(3) atom. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Li(5), and one V(1) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Li(8), and one V(3) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Li(7), and one V(1) atom. In the seventh F site, F(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(5), one Li(7), and one V(1) atom. In the eighth F site, F(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(6), one Li(8), and one V(3) atom. is represented by the CIF file [CIF]
data_Li2V(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.849
_cell_length_b   5.863
_cell_length_c   5.970
_cell_angle_alpha   119.344
_cell_angle_beta   90.048
_cell_angle_gamma   119.891
_symmetry_Int_Tables_number   1
_cell_volume   146.355
_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
  F  F0  1  0.385  0.770  0.154  1.0
  F  F1  1  0.389  0.241  0.630  1.0
  F  F2  1  0.851  0.240  0.629  1.0
  F  F3  1  0.385  0.771  0.624  1.0
  Li  Li4  1  0.257  0.515  0.772  1.0
  Li  Li5  1  0.616  0.232  0.366  1.0
  Li  Li6  1  0.135  0.749  0.365  1.0
  Li  Li7  1  0.614  0.749  0.365  1.0
  O  O8  1  0.884  0.768  0.651  1.0
  O  O9  1  0.371  0.240  0.107  1.0
  O  O10  1  0.868  0.241  0.107  1.0
  O  O11  1  0.870  0.740  0.107  1.0
  V  V12  1  0.626  0.250  0.881  1.0
  V  V13  1  0.998  0.995  0.992  1.0
[/CIF]
.