The material described by Li3V2(OF)4 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(1), one O(2), one O(4), one O(5), one O(7), and one F(1) atom to form distorted LiO5F octahedra that share corners with two equivalent Li(6)O5F octahedra, corners with two equivalent V(2)O4F2 octahedra,  an edgeedge with one V(4)O4F2 octahedra, edges with two equivalent V(1)O4F2 octahedra, and  a faceface with one V(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 29-60°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(3), one F(1), one F(2), one F(3), and one F(5) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(4), one F(1), one F(2), one F(4), and one F(6) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(5), one F(3), one F(5), one F(7), and one F(8) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(6), one F(4), one F(6), one F(7), and one F(8) atom. In the sixth Li site, Li(6) is bonded to one O(1), one O(3), one O(6), one O(7), one O(8), and one F(7) atom to form distorted LiO5F octahedra that share corners with two equivalent Li(1)O5F octahedra, corners with two equivalent V(4)O4F2 octahedra,  an edgeedge with one V(2)O4F2 octahedra, edges with two equivalent V(3)O4F2 octahedra, and  a faceface with one V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 29-59°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), one O(7), one F(1), and one F(3) atom to form distorted VO4F2 octahedra that share corners with two equivalent V(2)O4F2 octahedra, corners with two equivalent V(3)O4F2 octahedra, edges with two equivalent Li(1)O5F octahedra, and  a faceface with one Li(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 31-43°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(8), one F(2), and one F(4) atom to form distorted VO4F2 octahedra that share corners with two equivalent Li(1)O5F octahedra, corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent V(4)O4F2 octahedra, and  an edgeedge with one Li(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 35-60°. In the third V site, V(3) is bonded to one O(1), one O(5), one O(6), one O(7), one F(5), and one F(7) atom to form distorted VO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent V(4)O4F2 octahedra, edges with two equivalent Li(6)O5F octahedra, and  a faceface with one Li(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 31-44°. In the fourth V site, V(4) is bonded to one O(2), one O(5), one O(6), one O(8), one F(6), and one F(8) atom to form distorted VO4F2 octahedra that share corners with two equivalent Li(6)O5F octahedra, corners with two equivalent V(2)O4F2 octahedra, corners with two equivalent V(3)O4F2 octahedra, and  an edgeedge with one Li(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 35-59°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to one Li(1), one Li(6), one V(1), and one V(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one V(2), and one V(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), one Li(6), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one V(3), and one V(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(5), one Li(6), one V(3), 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(1), one Li(6), one V(1), and one V(3) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(6), one V(2), and one V(4) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one Li(3), and one V(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(2), one Li(3), and one V(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one V(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(3), one Li(5), and one V(2) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one V(3) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Li(3), one Li(5), and one V(4) atom. In the seventh F site, F(7) is bonded in a distorted tetrahedral geometry to one Li(4), one Li(5), one Li(6), and one V(3) atom. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Li(4), one Li(5), and one V(4) atom. is represented by the CIF card [CIF]
data_Li3V2(OF)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.951
_cell_length_b   7.341
_cell_length_c   7.700
_cell_angle_alpha   101.850
_cell_angle_beta   90.029
_cell_angle_gamma   90.084
_symmetry_Int_Tables_number   1
_cell_volume   273.858
_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  0.738  0.967  0.088  1.0
  Li  Li1  1  0.756  0.641  0.372  1.0
  Li  Li2  1  0.766  0.175  0.398  1.0
  Li  Li3  1  0.254  0.858  0.634  1.0
  Li  Li4  1  0.267  0.324  0.605  1.0
  Li  Li5  1  0.235  0.533  0.908  1.0
  V  V6  1  0.228  0.830  0.168  1.0
  V  V7  1  0.265  0.325  0.160  1.0
  V  V8  1  0.726  0.669  0.835  1.0
  V  V9  1  0.767  0.176  0.840  1.0
  O  O10  1  0.942  0.705  0.037  1.0
  O  O11  1  0.551  0.197  0.035  1.0
  O  O12  1  0.369  0.547  0.175  1.0
  O  O13  1  0.105  0.050  0.188  1.0
  O  O14  1  0.874  0.955  0.826  1.0
  O  O15  1  0.603  0.449  0.812  1.0
  O  O16  1  0.443  0.793  0.960  1.0
  O  O17  1  0.053  0.304  0.962  1.0
  F  F18  1  0.573  0.910  0.295  1.0
  F  F19  1  0.947  0.394  0.312  1.0
  F  F20  1  0.087  0.798  0.396  1.0
  F  F21  1  0.432  0.298  0.385  1.0
  F  F22  1  0.588  0.703  0.606  1.0
  F  F23  1  0.933  0.202  0.616  1.0
  F  F24  1  0.068  0.590  0.702  1.0
  F  F25  1  0.453  0.105  0.684  1.0
[/CIF]
.
The material described by Li3V2(OF)4 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(1), one O(2), one O(4), one O(5), one O(7), and one F(1) atom to form distorted LiO5F octahedra that share corners with two equivalent Li(6)O5F octahedra, corners with two equivalent V(2)O4F2 octahedra,  an edgeedge with one V(4)O4F2 octahedra, edges with two equivalent V(1)O4F2 octahedra, and  a faceface with one V(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 29-60°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(3), one F(1), one F(2), one F(3), and one F(5) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(4), one F(1), one F(2), one F(4), and one F(6) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(5), one F(3), one F(5), one F(7), and one F(8) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(6), one F(4), one F(6), one F(7), and one F(8) atom. In the sixth Li site, Li(6) is bonded to one O(1), one O(3), one O(6), one O(7), one O(8), and one F(7) atom to form distorted LiO5F octahedra that share corners with two equivalent Li(1)O5F octahedra, corners with two equivalent V(4)O4F2 octahedra,  an edgeedge with one V(2)O4F2 octahedra, edges with two equivalent V(3)O4F2 octahedra, and  a faceface with one V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 29-59°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), one O(7), one F(1), and one F(3) atom to form distorted VO4F2 octahedra that share corners with two equivalent V(2)O4F2 octahedra, corners with two equivalent V(3)O4F2 octahedra, edges with two equivalent Li(1)O5F octahedra, and  a faceface with one Li(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 31-43°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(8), one F(2), and one F(4) atom to form distorted VO4F2 octahedra that share corners with two equivalent Li(1)O5F octahedra, corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent V(4)O4F2 octahedra, and  an edgeedge with one Li(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 35-60°. In the third V site, V(3) is bonded to one O(1), one O(5), one O(6), one O(7), one F(5), and one F(7) atom to form distorted VO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent V(4)O4F2 octahedra, edges with two equivalent Li(6)O5F octahedra, and  a faceface with one Li(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 31-44°. In the fourth V site, V(4) is bonded to one O(2), one O(5), one O(6), one O(8), one F(6), and one F(8) atom to form distorted VO4F2 octahedra that share corners with two equivalent Li(6)O5F octahedra, corners with two equivalent V(2)O4F2 octahedra, corners with two equivalent V(3)O4F2 octahedra, and  an edgeedge with one Li(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 35-59°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to one Li(1), one Li(6), one V(1), and one V(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one V(2), and one V(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), one Li(6), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one V(3), and one V(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(5), one Li(6), one V(3), 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(1), one Li(6), one V(1), and one V(3) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(6), one V(2), and one V(4) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one Li(3), and one V(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(2), one Li(3), and one V(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one V(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(3), one Li(5), and one V(2) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(2), one Li(4), and one V(3) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Li(3), one Li(5), and one V(4) atom. In the seventh F site, F(7) is bonded in a distorted tetrahedral geometry to one Li(4), one Li(5), one Li(6), and one V(3) atom. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Li(4), one Li(5), and one V(4) atom. is represented by the CIF card [CIF]
data_Li3V2(OF)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.951
_cell_length_b   7.341
_cell_length_c   7.700
_cell_angle_alpha   101.850
_cell_angle_beta   90.029
_cell_angle_gamma   90.084
_symmetry_Int_Tables_number   1
_cell_volume   273.858
_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  0.738  0.967  0.088  1.0
  Li  Li1  1  0.756  0.641  0.372  1.0
  Li  Li2  1  0.766  0.175  0.398  1.0
  Li  Li3  1  0.254  0.858  0.634  1.0
  Li  Li4  1  0.267  0.324  0.605  1.0
  Li  Li5  1  0.235  0.533  0.908  1.0
  V  V6  1  0.228  0.830  0.168  1.0
  V  V7  1  0.265  0.325  0.160  1.0
  V  V8  1  0.726  0.669  0.835  1.0
  V  V9  1  0.767  0.176  0.840  1.0
  O  O10  1  0.942  0.705  0.037  1.0
  O  O11  1  0.551  0.197  0.035  1.0
  O  O12  1  0.369  0.547  0.175  1.0
  O  O13  1  0.105  0.050  0.188  1.0
  O  O14  1  0.874  0.955  0.826  1.0
  O  O15  1  0.603  0.449  0.812  1.0
  O  O16  1  0.443  0.793  0.960  1.0
  O  O17  1  0.053  0.304  0.962  1.0
  F  F18  1  0.573  0.910  0.295  1.0
  F  F19  1  0.947  0.394  0.312  1.0
  F  F20  1  0.087  0.798  0.396  1.0
  F  F21  1  0.432  0.298  0.385  1.0
  F  F22  1  0.588  0.703  0.606  1.0
  F  F23  1  0.933  0.202  0.616  1.0
  F  F24  1  0.068  0.590  0.702  1.0
  F  F25  1  0.453  0.105  0.684  1.0
[/CIF]
.