The structure described by Li2VO3F crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(6), and one F(2) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Li(3)O4F2 octahedra,  a cornercorner with one V(2)O5F octahedra, corners with four equivalent Li(4)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, and edges with two equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 4-80°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share corners with two equivalent Li(4)O4F2 octahedra, corners with four equivalent V(2)O5F octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, and edges with two equivalent Li(1)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-17°. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(5), one O(6), one F(1), and one F(2) atom to form distorted LiO4F2 octahedra that share  a cornercorner with one Li(1)O4F trigonal bipyramid, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent V(2)O5F octahedra, and  an edgeedge with one Li(1)O4F trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share corners with two equivalent Li(2)O4F2 octahedra, corners with four equivalent Li(1)O4F trigonal bipyramids, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, and edges with two equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 7-8°. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and one F(1) atom. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one F(2) atom to form distorted VO5F octahedra that share corners with four equivalent Li(2)O4F2 octahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, and edges with two equivalent Li(1)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-17°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), one V(1), and one V(2) atom to form distorted OLi3V2 trigonal bipyramids that share  a cornercorner with one O(2)Li3V2 square pyramid, corners with four equivalent O(3)Li4V square pyramids, edges with two equivalent O(2)Li3V2 square pyramids, and edges with two equivalent F(2)Li4V square pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one V(1), and one V(2) atom to form OLi3V2 square pyramids that share corners with four equivalent F(2)Li4V square pyramids,  a cornercorner with one O(1)Li3V2 trigonal bipyramid, edges with two equivalent O(3)Li4V square pyramids, and edges with two equivalent O(1)Li3V2 trigonal bipyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and one V(2) atom to form OLi4V square pyramids that share  a cornercorner with one F(2)Li4V square pyramid, corners with four equivalent O(1)Li3V2 trigonal bipyramids, edges with two equivalent O(2)Li3V2 square pyramids, and edges with two equivalent F(2)Li4V square pyramids. In the fourth O site, O(4) is bonded in a square co-planar geometry to one Li(2), one Li(3), one Li(4), and one V(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(3), one V(1), and one V(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one V(1), and one V(2) atom. There are two 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(4), and one V(1) atom. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and one V(2) atom to form FLi4V square pyramids that share  a cornercorner with one O(3)Li4V square pyramid, corners with four equivalent O(2)Li3V2 square pyramids, edges with two equivalent O(3)Li4V square pyramids, and edges with two equivalent O(1)Li3V2 trigonal bipyramids. is represented by the CIF file [CIF]
data_Li2VO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.050
_cell_length_b   5.214
_cell_length_c   5.796
_cell_angle_alpha   91.051
_cell_angle_beta   91.296
_cell_angle_gamma   111.690
_symmetry_Int_Tables_number   1
_cell_volume   141.702
_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  0.806  0.482  0.875  1.0
  Li  Li1  1  0.757  0.484  0.375  1.0
  Li  Li2  1  0.269  0.520  0.606  1.0
  Li  Li3  1  0.236  0.005  0.379  1.0
  V  V4  1  0.700  0.932  0.135  1.0
  V  V5  1  0.270  0.068  0.873  1.0
  O  O6  1  0.973  0.788  0.111  1.0
  O  O7  1  0.518  0.219  0.115  1.0
  O  O8  1  0.470  0.250  0.649  1.0
  O  O9  1  0.514  0.755  0.358  1.0
  O  O10  1  0.474  0.786  0.895  1.0
  O  O11  1  0.023  0.223  0.888  1.0
  F  F12  1  0.974  0.237  0.358  1.0
  F  F13  1  0.031  0.747  0.638  1.0
[/CIF]
.
The structure described by Li2VO3F crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(6), and one F(2) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Li(3)O4F2 octahedra,  a cornercorner with one V(2)O5F octahedra, corners with four equivalent Li(4)O4F2 octahedra,  an edgeedge with one Li(3)O4F2 octahedra, edges with two equivalent Li(2)O4F2 octahedra, and edges with two equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 4-80°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share corners with two equivalent Li(4)O4F2 octahedra, corners with four equivalent V(2)O5F octahedra, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, and edges with two equivalent Li(1)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-17°. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(5), one O(6), one F(1), and one F(2) atom to form distorted LiO4F2 octahedra that share  a cornercorner with one Li(1)O4F trigonal bipyramid, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, edges with two equivalent V(2)O5F octahedra, and  an edgeedge with one Li(1)O4F trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form LiO4F2 octahedra that share corners with two equivalent Li(2)O4F2 octahedra, corners with four equivalent Li(1)O4F trigonal bipyramids, edges with two equivalent Li(2)O4F2 octahedra, edges with two equivalent Li(3)O4F2 octahedra, and edges with two equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 7-8°. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and one F(1) atom. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one F(2) atom to form distorted VO5F octahedra that share corners with four equivalent Li(2)O4F2 octahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid, edges with two equivalent Li(3)O4F2 octahedra, edges with two equivalent Li(4)O4F2 octahedra, and edges with two equivalent Li(1)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-17°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), one V(1), and one V(2) atom to form distorted OLi3V2 trigonal bipyramids that share  a cornercorner with one O(2)Li3V2 square pyramid, corners with four equivalent O(3)Li4V square pyramids, edges with two equivalent O(2)Li3V2 square pyramids, and edges with two equivalent F(2)Li4V square pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one V(1), and one V(2) atom to form OLi3V2 square pyramids that share corners with four equivalent F(2)Li4V square pyramids,  a cornercorner with one O(1)Li3V2 trigonal bipyramid, edges with two equivalent O(3)Li4V square pyramids, and edges with two equivalent O(1)Li3V2 trigonal bipyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and one V(2) atom to form OLi4V square pyramids that share  a cornercorner with one F(2)Li4V square pyramid, corners with four equivalent O(1)Li3V2 trigonal bipyramids, edges with two equivalent O(2)Li3V2 square pyramids, and edges with two equivalent F(2)Li4V square pyramids. In the fourth O site, O(4) is bonded in a square co-planar geometry to one Li(2), one Li(3), one Li(4), and one V(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(3), one V(1), and one V(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one V(1), and one V(2) atom. There are two 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(4), and one V(1) atom. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and one V(2) atom to form FLi4V square pyramids that share  a cornercorner with one O(3)Li4V square pyramid, corners with four equivalent O(2)Li3V2 square pyramids, edges with two equivalent O(3)Li4V square pyramids, and edges with two equivalent O(1)Li3V2 trigonal bipyramids. is represented by the CIF file [CIF]
data_Li2VO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.050
_cell_length_b   5.214
_cell_length_c   5.796
_cell_angle_alpha   91.051
_cell_angle_beta   91.296
_cell_angle_gamma   111.690
_symmetry_Int_Tables_number   1
_cell_volume   141.702
_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  0.806  0.482  0.875  1.0
  Li  Li1  1  0.757  0.484  0.375  1.0
  Li  Li2  1  0.269  0.520  0.606  1.0
  Li  Li3  1  0.236  0.005  0.379  1.0
  V  V4  1  0.700  0.932  0.135  1.0
  V  V5  1  0.270  0.068  0.873  1.0
  O  O6  1  0.973  0.788  0.111  1.0
  O  O7  1  0.518  0.219  0.115  1.0
  O  O8  1  0.470  0.250  0.649  1.0
  O  O9  1  0.514  0.755  0.358  1.0
  O  O10  1  0.474  0.786  0.895  1.0
  O  O11  1  0.023  0.223  0.888  1.0
  F  F12  1  0.974  0.237  0.358  1.0
  F  F13  1  0.031  0.747  0.638  1.0
[/CIF]
.