The crystal structure described by Li2V(OF)2 is Spinel-derived structured and crystallizes in the monoclinic P2 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one F(2), and one F(4) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Li(2)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra, corners with two equivalent Li(4)F6 octahedra, corners with two equivalent V(3)O2F4 octahedra, corners with three equivalent Li(3)O3F3 octahedra, and corners with three equivalent V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-69°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form LiO4F2 octahedra that share corners with two equivalent Li(1)O2F2 tetrahedra, corners with four equivalent Li(5)O2F2 tetrahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent V(1)O4F2 octahedra, and edges with two equivalent V(2)O4F2 octahedra. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(4), one F(1), one F(2), and one F(3) atom to form LiO3F3 octahedra that share corners with three equivalent Li(1)O2F2 tetrahedra, corners with three equivalent Li(5)O2F2 tetrahedra,  an edgeedge with one Li(4)F6 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one V(3)O2F4 octahedra,  an edgeedge with one V(2)O4F2 octahedra, and edges with two equivalent V(1)O4F2 octahedra. In the fourth Li site, Li(4) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form LiF6 octahedra that share corners with two equivalent Li(5)O2F2 tetrahedra, corners with four equivalent Li(1)O2F2 tetrahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent V(3)O2F4 octahedra, and edges with two equivalent V(1)O4F2 octahedra. In the fifth Li site, Li(5) is bonded to one O(1), one O(4), one F(1), and one F(3) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one V(3)O2F4 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent V(2)O4F2 octahedra, corners with three equivalent Li(3)O3F3 octahedra, and corners with three equivalent V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-71°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(3), and one F(4) atom to form distorted VO4F2 octahedra that share corners with three equivalent Li(1)O2F2 tetrahedra, corners with three equivalent Li(5)O2F2 tetrahedra,  an edgeedge with one Li(4)F6 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one V(3)O2F4 octahedra,  an edgeedge with one V(2)O4F2 octahedra, and edges with two equivalent Li(3)O3F3 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with two equivalent Li(1)O2F2 tetrahedra, corners with four equivalent Li(5)O2F2 tetrahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Li(2)O4F2 octahedra, and edges with two equivalent V(1)O4F2 octahedra. In the third V site, V(3) is bonded to two equivalent O(4), two equivalent F(2), and two equivalent F(4) atoms to form VO2F4 octahedra that share corners with two equivalent Li(5)O2F2 tetrahedra, corners with four equivalent Li(1)O2F2 tetrahedra, edges with two equivalent Li(4)F6 octahedra, edges with two equivalent Li(3)O3F3 octahedra, and edges with two equivalent V(1)O4F2 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(5), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one V(1) atom. In the fourth O site, O(4) is bonded to one Li(3), one Li(5), one V(1), and one V(3) atom to form distorted OLi2V2 tetrahedra that share  a cornercorner with one O(4)Li2V2 tetrahedra,  a cornercorner with one F(3)Li3V tetrahedra, and  an edgeedge with one F(3)Li3V tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Li(5), and one V(2) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Li(4), and one V(3) atom. In the third F site, F(3) is bonded to one Li(3), one Li(4), one Li(5), and one V(1) atom to form distorted FLi3V tetrahedra that share  a cornercorner with one O(4)Li2V2 tetrahedra,  a cornercorner with one F(3)Li3V tetrahedra, and  an edgeedge with one O(4)Li2V2 tetrahedra. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one V(1), and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.947
_cell_length_b   6.037
_cell_length_c   8.405
_cell_angle_alpha   89.221
_cell_angle_beta   90.001
_cell_angle_gamma   89.995
_symmetry_Int_Tables_number   1
_cell_volume   301.748
_cell_formula_units_Z   4
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  0.247  0.252  0.390  1.0
  Li  Li1  1  0.247  0.748  0.110  1.0
  Li  Li2  1  0.253  0.500  0.750  1.0
  Li  Li3  1  0.502  0.256  0.989  1.0
  Li  Li4  1  0.502  0.744  0.511  1.0
  Li  Li5  1  0.737  0.500  0.250  1.0
  Li  Li6  1  0.753  0.243  0.619  1.0
  Li  Li7  1  0.753  0.757  0.881  1.0
  V  V8  1  0.025  0.259  0.986  1.0
  V  V9  1  0.025  0.741  0.514  1.0
  V  V10  1  0.231  0.000  0.750  1.0
  V  V11  1  0.742  0.000  0.250  1.0
  O  O12  1  0.012  0.235  0.765  1.0
  O  O13  1  0.012  0.765  0.735  1.0
  O  O14  1  0.244  0.016  0.972  1.0
  O  O15  1  0.244  0.984  0.528  1.0
  O  O16  1  0.224  0.463  0.009  1.0
  O  O17  1  0.224  0.537  0.491  1.0
  O  O18  1  0.776  0.973  0.463  1.0
  O  O19  1  0.776  0.027  0.037  1.0
  F  F20  1  0.478  0.243  0.745  1.0
  F  F21  1  0.478  0.757  0.755  1.0
  F  F22  1  0.520  0.239  0.258  1.0
  F  F23  1  0.520  0.761  0.242  1.0
  F  F24  1  0.755  0.527  0.495  1.0
  F  F25  1  0.755  0.473  0.005  1.0
  F  F26  1  0.982  0.246  0.247  1.0
  F  F27  1  0.982  0.754  0.253  1.0
[/CIF]
.
The crystal structure described by Li2V(OF)2 is Spinel-derived structured and crystallizes in the monoclinic P2 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one F(2), and one F(4) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Li(2)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra, corners with two equivalent Li(4)F6 octahedra, corners with two equivalent V(3)O2F4 octahedra, corners with three equivalent Li(3)O3F3 octahedra, and corners with three equivalent V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-69°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form LiO4F2 octahedra that share corners with two equivalent Li(1)O2F2 tetrahedra, corners with four equivalent Li(5)O2F2 tetrahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent V(1)O4F2 octahedra, and edges with two equivalent V(2)O4F2 octahedra. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(4), one F(1), one F(2), and one F(3) atom to form LiO3F3 octahedra that share corners with three equivalent Li(1)O2F2 tetrahedra, corners with three equivalent Li(5)O2F2 tetrahedra,  an edgeedge with one Li(4)F6 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one V(3)O2F4 octahedra,  an edgeedge with one V(2)O4F2 octahedra, and edges with two equivalent V(1)O4F2 octahedra. In the fourth Li site, Li(4) is bonded to two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms to form LiF6 octahedra that share corners with two equivalent Li(5)O2F2 tetrahedra, corners with four equivalent Li(1)O2F2 tetrahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent V(3)O2F4 octahedra, and edges with two equivalent V(1)O4F2 octahedra. In the fifth Li site, Li(5) is bonded to one O(1), one O(4), one F(1), and one F(3) atom to form LiO2F2 tetrahedra that share  a cornercorner with one Li(4)F6 octahedra,  a cornercorner with one V(3)O2F4 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent V(2)O4F2 octahedra, corners with three equivalent Li(3)O3F3 octahedra, and corners with three equivalent V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-71°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(3), and one F(4) atom to form distorted VO4F2 octahedra that share corners with three equivalent Li(1)O2F2 tetrahedra, corners with three equivalent Li(5)O2F2 tetrahedra,  an edgeedge with one Li(4)F6 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one V(3)O2F4 octahedra,  an edgeedge with one V(2)O4F2 octahedra, and edges with two equivalent Li(3)O3F3 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with two equivalent Li(1)O2F2 tetrahedra, corners with four equivalent Li(5)O2F2 tetrahedra, edges with two equivalent Li(3)O3F3 octahedra, edges with two equivalent Li(2)O4F2 octahedra, and edges with two equivalent V(1)O4F2 octahedra. In the third V site, V(3) is bonded to two equivalent O(4), two equivalent F(2), and two equivalent F(4) atoms to form VO2F4 octahedra that share corners with two equivalent Li(5)O2F2 tetrahedra, corners with four equivalent Li(1)O2F2 tetrahedra, edges with two equivalent Li(4)F6 octahedra, edges with two equivalent Li(3)O3F3 octahedra, and edges with two equivalent V(1)O4F2 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(5), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one V(1) atom. In the fourth O site, O(4) is bonded to one Li(3), one Li(5), one V(1), and one V(3) atom to form distorted OLi2V2 tetrahedra that share  a cornercorner with one O(4)Li2V2 tetrahedra,  a cornercorner with one F(3)Li3V tetrahedra, and  an edgeedge with one F(3)Li3V tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Li(5), and one V(2) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Li(4), and one V(3) atom. In the third F site, F(3) is bonded to one Li(3), one Li(4), one Li(5), and one V(1) atom to form distorted FLi3V tetrahedra that share  a cornercorner with one O(4)Li2V2 tetrahedra,  a cornercorner with one F(3)Li3V tetrahedra, and  an edgeedge with one O(4)Li2V2 tetrahedra. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one V(1), and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.947
_cell_length_b   6.037
_cell_length_c   8.405
_cell_angle_alpha   89.221
_cell_angle_beta   90.001
_cell_angle_gamma   89.995
_symmetry_Int_Tables_number   1
_cell_volume   301.748
_cell_formula_units_Z   4
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  0.247  0.252  0.390  1.0
  Li  Li1  1  0.247  0.748  0.110  1.0
  Li  Li2  1  0.253  0.500  0.750  1.0
  Li  Li3  1  0.502  0.256  0.989  1.0
  Li  Li4  1  0.502  0.744  0.511  1.0
  Li  Li5  1  0.737  0.500  0.250  1.0
  Li  Li6  1  0.753  0.243  0.619  1.0
  Li  Li7  1  0.753  0.757  0.881  1.0
  V  V8  1  0.025  0.259  0.986  1.0
  V  V9  1  0.025  0.741  0.514  1.0
  V  V10  1  0.231  0.000  0.750  1.0
  V  V11  1  0.742  0.000  0.250  1.0
  O  O12  1  0.012  0.235  0.765  1.0
  O  O13  1  0.012  0.765  0.735  1.0
  O  O14  1  0.244  0.016  0.972  1.0
  O  O15  1  0.244  0.984  0.528  1.0
  O  O16  1  0.224  0.463  0.009  1.0
  O  O17  1  0.224  0.537  0.491  1.0
  O  O18  1  0.776  0.973  0.463  1.0
  O  O19  1  0.776  0.027  0.037  1.0
  F  F20  1  0.478  0.243  0.745  1.0
  F  F21  1  0.478  0.757  0.755  1.0
  F  F22  1  0.520  0.239  0.258  1.0
  F  F23  1  0.520  0.761  0.242  1.0
  F  F24  1  0.755  0.527  0.495  1.0
  F  F25  1  0.755  0.473  0.005  1.0
  F  F26  1  0.982  0.246  0.247  1.0
  F  F27  1  0.982  0.754  0.253  1.0
[/CIF]
.