The material described by Li2VO3F crystallizes in the triclinic P1 space group. There are eight 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 F(1), and one F(4) atom to form LiO4F2 octahedra that share  a cornercorner with one V(4)O5F octahedra, corners with two equivalent Li(5)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra,  an edgeedge with one Li(3)O5F octahedra,  an edgeedge with one V(4)O5F octahedra, and edges with two equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 10-17°. In the second Li site, Li(2) is bonded to one O(12), one O(3), one O(4), one O(6), one F(1), and one F(2) atom to form distorted LiO4F2 octahedra that share corners with two equivalent V(2)O5F octahedra, corners with two equivalent V(3)O5F octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra,  an edgeedge with one Li(3)O5F octahedra, and  an edgeedge with one Li(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 14-19°. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one F(3) atom to form distorted LiO5F octahedra that share  a cornercorner with one Li(5)O4F2 octahedra, corners with two equivalent V(4)O5F octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(6)O5F octahedra, and edges with two equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 8-18°. In the fourth Li site, Li(4) is bonded to one O(4), one O(5), one O(8), one O(9), one F(2), and one F(3) atom to form distorted LiO4F2 octahedra that share  a cornercorner with one V(2)O5F octahedra,  a cornercorner with one V(3)O5F octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra,  an edgeedge with one Li(3)O5F octahedra,  an edgeedge with one Li(6)O5F octahedra,  an edgeedge with one V(2)O5F octahedra,  an edgeedge with one V(3)O5F octahedra, and edges with two equivalent Li(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the fifth Li site, Li(5) is bonded to one O(5), one O(7), one O(8), one O(9), one F(3), and one F(4) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(8)O4F2 octahedra,  a cornercorner with one Li(3)O5F octahedra, corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(6)O5F octahedra,  an edgeedge with one Li(8)O4F2 octahedra,  an edgeedge with one Li(3)O5F octahedra,  an edgeedge with one V(2)O5F octahedra,  an edgeedge with one V(3)O5F octahedra,  an edgeedge with one V(4)O5F octahedra, edges with two equivalent Li(4)O4F2 octahedra, and edges with two equivalent Li(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 8-20°. In the sixth Li site, Li(6) is bonded to one O(10), one O(11), one O(6), one O(7), one O(8), and one F(2) atom to form distorted LiO5F octahedra that share  a cornercorner with one V(4)O5F octahedra, corners with two equivalent Li(5)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra,  an edgeedge with one Li(3)O5F octahedra,  an edgeedge with one V(4)O5F octahedra, and edges with two equivalent V(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 7-20°. In the seventh Li site, Li(7) is bonded to one O(1), one O(10), one O(7), one O(9), one F(3), and one F(4) atom to form distorted LiO4F2 octahedra that share corners with two equivalent V(2)O5F octahedra, corners with two equivalent V(3)O5F octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra,  an edgeedge with one Li(3)O5F octahedra,  an edgeedge with one Li(6)O5F octahedra, edges with two equivalent Li(5)O4F2 octahedra, and edges with two equivalent V(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 4-16°. In the eighth Li site, Li(8) is bonded to one O(11), one O(12), one O(8), one O(9), one F(1), and one F(4) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(5)O4F2 octahedra, corners with two equivalent V(4)O5F octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(6)O5F octahedra, and edges with two equivalent V(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 6-12°. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(3), 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(4), one O(5), and one F(3) atom to form distorted VO5F octahedra that share  a cornercorner with one Li(4)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(7)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one V(4)O5F octahedra, edges with two equivalent Li(1)O4F2 octahedra, and edges with two equivalent Li(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the third V site, V(3) is bonded to one O(10), one O(11), one O(12), one O(8), one O(9), and one F(2) atom to form distorted VO5F octahedra that share  a cornercorner with one Li(4)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(7)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one V(4)O5F octahedra, edges with two equivalent Li(8)O4F2 octahedra, and edges with two equivalent Li(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 6-19°. In the fourth V site, V(4) is bonded to one O(1), one O(10), one O(11), one O(2), one O(7), and one F(4) atom to form distorted VO5F octahedra that share  a cornercorner with one Li(1)O4F2 octahedra,  a cornercorner with one Li(6)O5F octahedra, corners with two equivalent Li(8)O4F2 octahedra, corners with two equivalent Li(3)O5F octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one Li(6)O5F octahedra,  an edgeedge with one V(2)O5F octahedra,  an edgeedge with one V(3)O5F octahedra, and edges with two equivalent Li(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 6-18°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(7), one V(2), and one V(4) atom. In the second O site, O(2) is bonded to one Li(1), one Li(3), one V(1), one V(2), and one V(4) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(5)Li4V square pyramid, corners with two equivalent O(7)Li4V square pyramids,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(5)Li4V square pyramid,  an edgeedge with one F(3)Li4V square pyramid, and  an edgeedge with one F(4)Li4V square pyramid. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(4), and one V(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), and one V(2) atom to form distorted OLi4V square pyramids that share  a cornercorner with one O(2)Li2V3 square pyramid, corners with two equivalent O(8)Li4V square pyramids, corners with two equivalent F(4)Li4V square pyramids,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(7)Li4V square pyramid,  an edgeedge with one O(9)Li4V square pyramid, and edges with two equivalent F(3)Li4V square pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Li(6), and one V(1) atom. In the seventh O site, O(7) is bonded to one Li(3), one Li(5), one Li(6), one Li(7), and one V(4) atom to form OLi4V square pyramids that share  a cornercorner with one F(3)Li4V square pyramid,  a cornercorner with one F(4)Li4V square pyramid, corners with two equivalent O(2)Li2V3 square pyramids, corners with two equivalent O(8)Li4V square pyramids,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(5)Li4V square pyramid,  an edgeedge with one O(9)Li4V square pyramid,  an edgeedge with one F(3)Li4V square pyramid, and  an edgeedge with one F(4)Li4V square pyramid. In the eighth O site, O(8) is bonded to one Li(4), one Li(5), one Li(6), one Li(8), and one V(3) atom to form distorted OLi4V square pyramids that share  a cornercorner with one O(11)Li2V3 square pyramid, corners with two equivalent O(5)Li4V square pyramids, corners with two equivalent O(7)Li4V square pyramids,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one F(3)Li4V square pyramid,  an edgeedge with one F(4)Li4V square pyramid, and edges with two equivalent O(9)Li4V square pyramids. In the ninth O site, O(9) is bonded to one Li(4), one Li(5), one Li(7), one Li(8), and one V(3) atom to form OLi4V square pyramids that share  a cornercorner with one F(3)Li4V square pyramid,  a cornercorner with one F(4)Li4V square pyramid,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(5)Li4V square pyramid,  an edgeedge with one O(7)Li4V square pyramid,  an edgeedge with one F(3)Li4V square pyramid,  an edgeedge with one F(4)Li4V square pyramid, and edges with two equivalent O(8)Li4V square pyramids. In the tenth O site, O(10) is bonded in a distorted square co-planar geometry to one Li(6), one Li(7), one V(3), and one V(4) atom. In the eleventh O site, O(11) is bonded to one Li(6), one Li(8), one V(1), one V(3), and one V(4) atom to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(8)Li4V square pyramid, corners with two equivalent F(4)Li4V square pyramids,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(7)Li4V square pyramid,  an edgeedge with one O(8)Li4V square pyramid, and  an edgeedge with one O(9)Li4V square pyramid. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(8), one V(1), and one V(3) atom. 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(1), one Li(2), one Li(8), and one V(1) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Li(6), and one V(3) atom. In the third F site, F(3) is bonded to one Li(3), one Li(4), one Li(5), one Li(7), and one V(2) atom to form FLi4V square pyramids that share  a cornercorner with one O(7)Li4V square pyramid,  a cornercorner with one O(9)Li4V square pyramid,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(7)Li4V square pyramid,  an edgeedge with one O(8)Li4V square pyramid,  an edgeedge with one O(9)Li4V square pyramid,  an edgeedge with one F(4)Li4V square pyramid, and edges with two equivalent O(5)Li4V square pyramids. In the fourth F site, F(4) is bonded to one Li(1), one Li(5), one Li(7), one Li(8), and one V(4) atom to form FLi4V square pyramids that share  a cornercorner with one O(7)Li4V square pyramid,  a cornercorner with one O(9)Li4V square pyramid, corners with two equivalent O(11)Li2V3 square pyramids, corners with two equivalent O(5)Li4V square pyramids,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(7)Li4V square pyramid,  an edgeedge with one O(8)Li4V square pyramid,  an edgeedge with one O(9)Li4V square pyramid, and  an edgeedge with one F(3)Li4V square pyramid. is represented by the CIF card [CIF]
data_Li2VO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.150
_cell_length_b   7.729
_cell_length_c   7.743
_cell_angle_alpha   98.408
_cell_angle_beta   102.652
_cell_angle_gamma   103.379
_symmetry_Int_Tables_number   1
_cell_volume   286.208
_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  0.514  0.371  0.118  1.0
  Li  Li1  1  0.494  0.732  0.259  1.0
  Li  Li2  1  0.543  0.122  0.384  1.0
  Li  Li3  1  0.502  0.504  0.497  1.0
  Li  Li4  1  0.004  0.373  0.615  1.0
  Li  Li5  1  0.453  0.873  0.607  1.0
  Li  Li6  1  0.510  0.264  0.750  1.0
  Li  Li7  1  0.496  0.631  0.882  1.0
  V  V8  1  0.026  0.895  0.165  1.0
  V  V9  1  0.001  0.282  0.230  1.0
  V  V10  1  0.001  0.722  0.760  1.0
  V  V11  1  0.965  0.096  0.843  1.0
  O  O12  1  0.801  0.251  0.005  1.0
  O  O13  1  0.208  0.115  0.120  1.0
  O  O14  1  0.803  0.001  0.250  1.0
  O  O15  1  0.264  0.473  0.251  1.0
  O  O16  1  0.781  0.348  0.352  1.0
  O  O17  1  0.261  0.880  0.349  1.0
  O  O18  1  0.752  0.133  0.655  1.0
  O  O19  1  0.227  0.642  0.656  1.0
  O  O20  1  0.748  0.521  0.740  1.0
  O  O21  1  0.193  0.995  0.753  1.0
  O  O22  1  0.769  0.886  0.873  1.0
  O  O23  1  0.183  0.757  0.991  1.0
  F  F24  1  0.732  0.658  0.119  1.0
  F  F25  1  0.723  0.747  0.525  1.0
  F  F26  1  0.267  0.266  0.492  1.0
  F  F27  1  0.263  0.348  0.871  1.0
[/CIF]
.
The material described by Li2VO3F crystallizes in the triclinic P1 space group. There are eight 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 F(1), and one F(4) atom to form LiO4F2 octahedra that share  a cornercorner with one V(4)O5F octahedra, corners with two equivalent Li(5)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra,  an edgeedge with one Li(3)O5F octahedra,  an edgeedge with one V(4)O5F octahedra, and edges with two equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 10-17°. In the second Li site, Li(2) is bonded to one O(12), one O(3), one O(4), one O(6), one F(1), and one F(2) atom to form distorted LiO4F2 octahedra that share corners with two equivalent V(2)O5F octahedra, corners with two equivalent V(3)O5F octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra,  an edgeedge with one Li(3)O5F octahedra, and  an edgeedge with one Li(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 14-19°. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one F(3) atom to form distorted LiO5F octahedra that share  a cornercorner with one Li(5)O4F2 octahedra, corners with two equivalent V(4)O5F octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(6)O5F octahedra, and edges with two equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 8-18°. In the fourth Li site, Li(4) is bonded to one O(4), one O(5), one O(8), one O(9), one F(2), and one F(3) atom to form distorted LiO4F2 octahedra that share  a cornercorner with one V(2)O5F octahedra,  a cornercorner with one V(3)O5F octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra,  an edgeedge with one Li(3)O5F octahedra,  an edgeedge with one Li(6)O5F octahedra,  an edgeedge with one V(2)O5F octahedra,  an edgeedge with one V(3)O5F octahedra, and edges with two equivalent Li(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the fifth Li site, Li(5) is bonded to one O(5), one O(7), one O(8), one O(9), one F(3), and one F(4) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(8)O4F2 octahedra,  a cornercorner with one Li(3)O5F octahedra, corners with two equivalent Li(1)O4F2 octahedra, corners with two equivalent Li(6)O5F octahedra,  an edgeedge with one Li(8)O4F2 octahedra,  an edgeedge with one Li(3)O5F octahedra,  an edgeedge with one V(2)O5F octahedra,  an edgeedge with one V(3)O5F octahedra,  an edgeedge with one V(4)O5F octahedra, edges with two equivalent Li(4)O4F2 octahedra, and edges with two equivalent Li(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 8-20°. In the sixth Li site, Li(6) is bonded to one O(10), one O(11), one O(6), one O(7), one O(8), and one F(2) atom to form distorted LiO5F octahedra that share  a cornercorner with one V(4)O5F octahedra, corners with two equivalent Li(5)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra,  an edgeedge with one Li(3)O5F octahedra,  an edgeedge with one V(4)O5F octahedra, and edges with two equivalent V(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 7-20°. In the seventh Li site, Li(7) is bonded to one O(1), one O(10), one O(7), one O(9), one F(3), and one F(4) atom to form distorted LiO4F2 octahedra that share corners with two equivalent V(2)O5F octahedra, corners with two equivalent V(3)O5F octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(8)O4F2 octahedra,  an edgeedge with one Li(3)O5F octahedra,  an edgeedge with one Li(6)O5F octahedra, edges with two equivalent Li(5)O4F2 octahedra, and edges with two equivalent V(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 4-16°. In the eighth Li site, Li(8) is bonded to one O(11), one O(12), one O(8), one O(9), one F(1), and one F(4) atom to form LiO4F2 octahedra that share  a cornercorner with one Li(5)O4F2 octahedra, corners with two equivalent V(4)O5F octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(2)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one Li(7)O4F2 octahedra,  an edgeedge with one Li(6)O5F octahedra, and edges with two equivalent V(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 6-12°. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(3), 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(4), one O(5), and one F(3) atom to form distorted VO5F octahedra that share  a cornercorner with one Li(4)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(7)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one V(4)O5F octahedra, edges with two equivalent Li(1)O4F2 octahedra, and edges with two equivalent Li(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the third V site, V(3) is bonded to one O(10), one O(11), one O(12), one O(8), one O(9), and one F(2) atom to form distorted VO5F octahedra that share  a cornercorner with one Li(4)O4F2 octahedra, corners with two equivalent Li(2)O4F2 octahedra, corners with two equivalent Li(7)O4F2 octahedra,  an edgeedge with one Li(4)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one V(4)O5F octahedra, edges with two equivalent Li(8)O4F2 octahedra, and edges with two equivalent Li(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 6-19°. In the fourth V site, V(4) is bonded to one O(1), one O(10), one O(11), one O(2), one O(7), and one F(4) atom to form distorted VO5F octahedra that share  a cornercorner with one Li(1)O4F2 octahedra,  a cornercorner with one Li(6)O5F octahedra, corners with two equivalent Li(8)O4F2 octahedra, corners with two equivalent Li(3)O5F octahedra,  an edgeedge with one Li(1)O4F2 octahedra,  an edgeedge with one Li(5)O4F2 octahedra,  an edgeedge with one Li(6)O5F octahedra,  an edgeedge with one V(2)O5F octahedra,  an edgeedge with one V(3)O5F octahedra, and edges with two equivalent Li(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 6-18°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(7), one V(2), and one V(4) atom. In the second O site, O(2) is bonded to one Li(1), one Li(3), one V(1), one V(2), and one V(4) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(5)Li4V square pyramid, corners with two equivalent O(7)Li4V square pyramids,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(5)Li4V square pyramid,  an edgeedge with one F(3)Li4V square pyramid, and  an edgeedge with one F(4)Li4V square pyramid. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(4), and one V(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), and one V(2) atom to form distorted OLi4V square pyramids that share  a cornercorner with one O(2)Li2V3 square pyramid, corners with two equivalent O(8)Li4V square pyramids, corners with two equivalent F(4)Li4V square pyramids,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(7)Li4V square pyramid,  an edgeedge with one O(9)Li4V square pyramid, and edges with two equivalent F(3)Li4V square pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Li(6), and one V(1) atom. In the seventh O site, O(7) is bonded to one Li(3), one Li(5), one Li(6), one Li(7), and one V(4) atom to form OLi4V square pyramids that share  a cornercorner with one F(3)Li4V square pyramid,  a cornercorner with one F(4)Li4V square pyramid, corners with two equivalent O(2)Li2V3 square pyramids, corners with two equivalent O(8)Li4V square pyramids,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(5)Li4V square pyramid,  an edgeedge with one O(9)Li4V square pyramid,  an edgeedge with one F(3)Li4V square pyramid, and  an edgeedge with one F(4)Li4V square pyramid. In the eighth O site, O(8) is bonded to one Li(4), one Li(5), one Li(6), one Li(8), and one V(3) atom to form distorted OLi4V square pyramids that share  a cornercorner with one O(11)Li2V3 square pyramid, corners with two equivalent O(5)Li4V square pyramids, corners with two equivalent O(7)Li4V square pyramids,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one F(3)Li4V square pyramid,  an edgeedge with one F(4)Li4V square pyramid, and edges with two equivalent O(9)Li4V square pyramids. In the ninth O site, O(9) is bonded to one Li(4), one Li(5), one Li(7), one Li(8), and one V(3) atom to form OLi4V square pyramids that share  a cornercorner with one F(3)Li4V square pyramid,  a cornercorner with one F(4)Li4V square pyramid,  an edgeedge with one O(11)Li2V3 square pyramid,  an edgeedge with one O(5)Li4V square pyramid,  an edgeedge with one O(7)Li4V square pyramid,  an edgeedge with one F(3)Li4V square pyramid,  an edgeedge with one F(4)Li4V square pyramid, and edges with two equivalent O(8)Li4V square pyramids. In the tenth O site, O(10) is bonded in a distorted square co-planar geometry to one Li(6), one Li(7), one V(3), and one V(4) atom. In the eleventh O site, O(11) is bonded to one Li(6), one Li(8), one V(1), one V(3), and one V(4) atom to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(8)Li4V square pyramid, corners with two equivalent F(4)Li4V square pyramids,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(7)Li4V square pyramid,  an edgeedge with one O(8)Li4V square pyramid, and  an edgeedge with one O(9)Li4V square pyramid. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(8), one V(1), and one V(3) atom. 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(1), one Li(2), one Li(8), and one V(1) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Li(6), and one V(3) atom. In the third F site, F(3) is bonded to one Li(3), one Li(4), one Li(5), one Li(7), and one V(2) atom to form FLi4V square pyramids that share  a cornercorner with one O(7)Li4V square pyramid,  a cornercorner with one O(9)Li4V square pyramid,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(7)Li4V square pyramid,  an edgeedge with one O(8)Li4V square pyramid,  an edgeedge with one O(9)Li4V square pyramid,  an edgeedge with one F(4)Li4V square pyramid, and edges with two equivalent O(5)Li4V square pyramids. In the fourth F site, F(4) is bonded to one Li(1), one Li(5), one Li(7), one Li(8), and one V(4) atom to form FLi4V square pyramids that share  a cornercorner with one O(7)Li4V square pyramid,  a cornercorner with one O(9)Li4V square pyramid, corners with two equivalent O(11)Li2V3 square pyramids, corners with two equivalent O(5)Li4V square pyramids,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(7)Li4V square pyramid,  an edgeedge with one O(8)Li4V square pyramid,  an edgeedge with one O(9)Li4V square pyramid, and  an edgeedge with one F(3)Li4V square pyramid. is represented by the CIF card [CIF]
data_Li2VO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.150
_cell_length_b   7.729
_cell_length_c   7.743
_cell_angle_alpha   98.408
_cell_angle_beta   102.652
_cell_angle_gamma   103.379
_symmetry_Int_Tables_number   1
_cell_volume   286.208
_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  0.514  0.371  0.118  1.0
  Li  Li1  1  0.494  0.732  0.259  1.0
  Li  Li2  1  0.543  0.122  0.384  1.0
  Li  Li3  1  0.502  0.504  0.497  1.0
  Li  Li4  1  0.004  0.373  0.615  1.0
  Li  Li5  1  0.453  0.873  0.607  1.0
  Li  Li6  1  0.510  0.264  0.750  1.0
  Li  Li7  1  0.496  0.631  0.882  1.0
  V  V8  1  0.026  0.895  0.165  1.0
  V  V9  1  0.001  0.282  0.230  1.0
  V  V10  1  0.001  0.722  0.760  1.0
  V  V11  1  0.965  0.096  0.843  1.0
  O  O12  1  0.801  0.251  0.005  1.0
  O  O13  1  0.208  0.115  0.120  1.0
  O  O14  1  0.803  0.001  0.250  1.0
  O  O15  1  0.264  0.473  0.251  1.0
  O  O16  1  0.781  0.348  0.352  1.0
  O  O17  1  0.261  0.880  0.349  1.0
  O  O18  1  0.752  0.133  0.655  1.0
  O  O19  1  0.227  0.642  0.656  1.0
  O  O20  1  0.748  0.521  0.740  1.0
  O  O21  1  0.193  0.995  0.753  1.0
  O  O22  1  0.769  0.886  0.873  1.0
  O  O23  1  0.183  0.757  0.991  1.0
  F  F24  1  0.732  0.658  0.119  1.0
  F  F25  1  0.723  0.747  0.525  1.0
  F  F26  1  0.267  0.266  0.492  1.0
  F  F27  1  0.263  0.348  0.871  1.0
[/CIF]
.