The material described by Li3V2(O2F)2 crystallizes in the triclinic P1 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(7), one F(2), one F(3), and one F(6) atom to form distorted LiO3F3 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(7)O3F3 octahedra, corners with two equivalent V(6)O6 octahedra,  an edgeedge with one Li(2)O3F3 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and edges with two equivalent Li(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. In the second Li site, Li(2) is bonded to one O(11), one O(3), one O(9), one F(1), one F(3), and one F(6) atom to form distorted LiO3F3 octahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Li(6)O3F3 octahedra, corners with two equivalent V(4)O6 octahedra,  an edgeedge with one Li(1)O3F3 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent Li(7)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 7-18°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(8), one F(1), one F(3), and one F(4) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(12), one O(3), one O(5), one F(1), one F(2), and one F(4) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(10), one O(4), one O(7), one F(2), one F(4), and one F(5) atom. In the sixth Li site, Li(6) is bonded to one O(1), one O(7), one O(8), one F(3), one F(5), and one F(6) atom to form distorted LiO3F3 octahedra that share  a cornercorner with one V(5)O6 octahedra, corners with two equivalent Li(2)O3F3 octahedra, corners with two equivalent V(4)O6 octahedra,  an edgeedge with one Li(7)O3F3 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent Li(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 7-18°. In the seventh Li site, Li(7) is bonded to one O(3), one O(6), one O(9), one F(3), one F(4), and one F(6) atom to form distorted LiO3F3 octahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Li(1)O3F3 octahedra, corners with two equivalent V(6)O6 octahedra,  an edgeedge with one Li(6)O3F3 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with two equivalent Li(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 11-16°. In the eighth Li site, Li(8) is bonded in a 6-coordinate geometry to one O(12), one O(5), one O(9), one F(1), one F(4), and one F(5) atom. In the ninth Li site, Li(9) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(6), one F(2), one F(5), and one F(6) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O3F3 octahedra,  an edgeedge with one Li(1)O3F3 octahedra,  an edgeedge with one Li(6)O3F3 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the second V site, V(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(4), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O3F3 octahedra,  an edgeedge with one Li(2)O3F3 octahedra,  an edgeedge with one Li(7)O3F3 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the third V site, V(3) is bonded to one O(12), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(7)O3F3 octahedra,  an edgeedge with one Li(1)O3F3 octahedra,  an edgeedge with one Li(6)O3F3 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 16°. In the fourth V site, V(4) is bonded to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Li(2)O3F3 octahedra, corners with two equivalent Li(6)O3F3 octahedra,  an edgeedge with one Li(1)O3F3 octahedra,  an edgeedge with one Li(7)O3F3 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. In the fifth V site, V(5) is bonded to one O(10), one O(11), one O(4), one O(6), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(6)O3F3 octahedra,  an edgeedge with one Li(2)O3F3 octahedra,  an edgeedge with one Li(7)O3F3 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the sixth V site, V(6) is bonded to one O(1), one O(10), one O(12), one O(3), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Li(1)O3F3 octahedra, corners with two equivalent Li(7)O3F3 octahedra,  an edgeedge with one Li(2)O3F3 octahedra,  an edgeedge with one Li(6)O3F3 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(6), one V(1), one V(4), and one V(6) atom to form OLi2V3 square pyramids that share corners with two equivalent O(9)Li3V3 octahedra,  a cornercorner with one O(4)Li2V3 square pyramid, corners with two equivalent F(3)Li5 trigonal bipyramids,  a cornercorner with one O(10)LiV3 trigonal pyramid,  an edgeedge with one O(12)Li3V3 octahedra,  an edgeedge with one O(3)Li3V3 octahedra, edges with two equivalent O(7)Li3V3 octahedra,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, and  an edgeedge with one F(6)Li5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-5°. 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(3) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(3)Li3V3 octahedra, corners with two equivalent O(12)Li3V3 octahedra,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one F(4)Li5 trigonal bipyramid,  a cornercorner with one F(6)Li5 trigonal bipyramid,  a cornercorner with one O(10)LiV3 trigonal pyramid,  an edgeedge with one O(7)Li3V3 octahedra,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, and  an edgeedge with one F(3)Li5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-4°. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Li(7), one V(2), one V(4), and one V(6) atom to form distorted OLi3V3 octahedra that share corners with two equivalent O(7)Li3V3 octahedra,  a cornercorner with one O(2)Li2V3 square pyramid, corners with two equivalent F(6)Li5 trigonal bipyramids,  an edgeedge with one O(12)Li3V3 octahedra, edges with two equivalent O(9)Li3V3 octahedra,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one F(3)Li5 trigonal bipyramid,  an edgeedge with one F(4)Li5 trigonal bipyramid, and  an edgeedge with one O(10)LiV3 trigonal pyramid. The corner-sharing octahedral tilt angles are 2°. In the fourth O site, O(4) is bonded to one Li(3), one Li(5), one V(2), one V(4), and one V(5) atom to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(1)Li2V3 square pyramid,  a cornercorner with one O(5)Li2V3 square pyramid,  a cornercorner with one F(3)Li5 trigonal bipyramid,  a cornercorner with one O(10)LiV3 trigonal pyramid,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra,  an edgeedge with one O(9)Li3V3 octahedra,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one F(4)Li5 trigonal bipyramid, and  an edgeedge with one O(10)LiV3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(4), 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(4)Li2V3 square pyramid,  a cornercorner with one O(6)Li2V3 square pyramid, corners with two equivalent O(8)Li2V3 square pyramids,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra,  an edgeedge with one O(9)Li3V3 octahedra, edges with two equivalent O(12)Li3V3 octahedra,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one O(2)Li2V3 square pyramid, and  an edgeedge with one F(4)Li5 trigonal bipyramid. In the sixth O site, O(6) is bonded to one Li(7), one Li(9), one V(2), one V(3), and one V(5) atom to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(7)Li3V3 octahedra,  a cornercorner with one O(5)Li2V3 square pyramid,  a cornercorner with one F(3)Li5 trigonal bipyramid,  a cornercorner with one F(4)Li5 trigonal bipyramid, corners with two equivalent O(10)LiV3 trigonal pyramids,  an edgeedge with one O(12)Li3V3 octahedra,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(9)Li3V3 octahedra,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, and  an edgeedge with one F(6)Li5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 5°. In the seventh O site, O(7) is bonded to one Li(1), one Li(5), one Li(6), one V(3), one V(4), and one V(6) atom to form OLi3V3 octahedra that share corners with two equivalent O(3)Li3V3 octahedra,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one F(4)Li5 trigonal bipyramid, corners with two equivalent F(6)Li5 trigonal bipyramids,  an edgeedge with one O(12)Li3V3 octahedra,  an edgeedge with one O(9)Li3V3 octahedra,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, edges with two equivalent O(1)Li2V3 square pyramids,  an edgeedge with one F(3)Li5 trigonal bipyramid, and  an edgeedge with one O(10)LiV3 trigonal pyramid. The corner-sharing octahedral tilt angles are 2°. In the eighth O site, O(8) is bonded to one Li(3), one Li(6), one V(1), one V(3), and one V(5) atom to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(9)Li3V3 octahedra,  a cornercorner with one O(2)Li2V3 square pyramid, corners with two equivalent O(5)Li2V3 square pyramids,  a cornercorner with one F(4)Li5 trigonal bipyramid,  a cornercorner with one F(6)Li5 trigonal bipyramid,  a cornercorner with one O(10)LiV3 trigonal pyramid,  an edgeedge with one O(12)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid, and  an edgeedge with one F(3)Li5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 5°. In the ninth O site, O(9) is bonded to one Li(2), one Li(7), one Li(8), one V(4), one V(5), and one V(6) atom to form distorted OLi3V3 octahedra that share  a cornercorner with one O(8)Li2V3 square pyramid, corners with two equivalent O(1)Li2V3 square pyramids, corners with two equivalent F(3)Li5 trigonal bipyramids,  an edgeedge with one O(12)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra, edges with two equivalent O(3)Li3V3 octahedra,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one F(4)Li5 trigonal bipyramid,  an edgeedge with one F(6)Li5 trigonal bipyramid, and  an edgeedge with one O(10)LiV3 trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(5), one V(2), one V(5), and one V(6) atom to form distorted OLiV3 trigonal pyramids that share  a cornercorner with one O(12)Li3V3 octahedra,  a cornercorner with one O(1)Li2V3 square pyramid,  a cornercorner with one O(2)Li2V3 square pyramid,  a cornercorner with one O(4)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid, corners with two equivalent O(6)Li2V3 square pyramids,  a cornercorner with one F(4)Li5 trigonal bipyramid,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra,  an edgeedge with one O(9)Li3V3 octahedra, and  an edgeedge with one O(4)Li2V3 square pyramid. The corner-sharing octahedral tilt angles are 2°. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Li(9), one V(1), one V(2), and one V(5) atom. In the twelfth O site, O(12) is bonded to one Li(4), one Li(8), one Li(9), one V(1), one V(3), and one V(6) atom to form OLi3V3 octahedra that share corners with two equivalent O(2)Li2V3 square pyramids,  a cornercorner with one F(6)Li5 trigonal bipyramid, corners with two equivalent F(4)Li5 trigonal bipyramids,  a cornercorner with one O(10)LiV3 trigonal pyramid,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra,  an edgeedge with one O(9)Li3V3 octahedra,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, and edges with two equivalent O(5)Li2V3 square pyramids. There are six inequivalent F sites. In the first F site, F(1) is bonded in a see-saw-like geometry to one Li(2), one Li(3), one Li(4), and one Li(8) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(4), one Li(5), and one Li(9) atom. In the third F site, F(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(6), and one Li(7) atom to form FLi5 trigonal bipyramids that share corners with two equivalent O(9)Li3V3 octahedra,  a cornercorner with one O(4)Li2V3 square pyramid,  a cornercorner with one O(6)Li2V3 square pyramid, corners with two equivalent O(1)Li2V3 square pyramids,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one F(4)Li5 trigonal bipyramid, and edges with two equivalent F(6)Li5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-11°. In the fourth F site, F(4) is bonded to one Li(3), one Li(4), one Li(5), one Li(7), and one Li(8) atom to form FLi5 trigonal bipyramids that share  a cornercorner with one O(7)Li3V3 octahedra, corners with two equivalent O(12)Li3V3 octahedra,  a cornercorner with one O(2)Li2V3 square pyramid,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one F(6)Li5 trigonal bipyramid,  a cornercorner with one O(10)LiV3 trigonal pyramid,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(9)Li3V3 octahedra,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid, and  an edgeedge with one F(3)Li5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 14-27°. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(5), one Li(6), one Li(8), and one Li(9) atom. In the sixth F site, F(6) is bonded to one Li(1), one Li(2), one Li(6), one Li(7), and one Li(9) atom to form FLi5 trigonal bipyramids that share  a cornercorner with one O(12)Li3V3 octahedra, corners with two equivalent O(3)Li3V3 octahedra, corners with two equivalent O(7)Li3V3 octahedra,  a cornercorner with one O(2)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one F(4)Li5 trigonal bipyramid,  an edgeedge with one O(9)Li3V3 octahedra,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid, and edges with two equivalent F(3)Li5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 11-22°. is represented by the CIF file [CIF]
data_Li3V2(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.940
_cell_length_b   7.844
_cell_length_c   7.957
_cell_angle_alpha   106.123
_cell_angle_beta   101.251
_cell_angle_gamma   100.049
_symmetry_Int_Tables_number   1
_cell_volume   338.888
_cell_formula_units_Z   3
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  0.840  0.010  0.367  1.0
  Li  Li1  1  0.990  0.315  0.644  1.0
  Li  Li2  1  0.702  0.362  0.361  1.0
  Li  Li3  1  0.832  0.676  0.638  1.0
  Li  Li4  1  0.509  0.689  0.369  1.0
  Li  Li5  1  0.346  0.003  0.363  1.0
  Li  Li6  1  0.488  0.322  0.634  1.0
  Li  Li7  1  0.299  0.644  0.606  1.0
  Li  Li8  1  0.151  0.961  0.624  1.0
  V  V9  1  0.995  0.002  0.997  1.0
  V  V10  1  0.840  0.338  0.009  1.0
  V  V11  1  0.501  0.998  0.990  1.0
  V  V12  1  0.669  0.667  0.009  1.0
  V  V13  1  0.337  0.333  0.005  1.0
  V  V14  1  0.167  0.667  0.001  1.0
  O  O15  1  0.997  0.828  0.139  1.0
  O  O16  1  0.811  0.159  0.143  1.0
  O  O17  1  0.846  0.507  0.862  1.0
  O  O18  1  0.671  0.482  0.149  1.0
  O  O19  1  0.659  0.842  0.860  1.0
  O  O20  1  0.516  0.177  0.860  1.0
  O  O21  1  0.486  0.827  0.146  1.0
  O  O22  1  0.332  0.142  0.134  1.0
  O  O23  1  0.342  0.510  0.859  1.0
  O  O24  1  0.164  0.506  0.142  1.0
  O  O25  1  0.000  0.188  0.864  1.0
  O  O26  1  0.171  0.832  0.847  1.0
  F  F27  1  0.991  0.500  0.534  1.0
  F  F28  1  0.829  0.835  0.495  1.0
  F  F29  1  0.663  0.179  0.484  1.0
  F  F30  1  0.520  0.514  0.512  1.0
  F  F31  1  0.332  0.830  0.495  1.0
  F  F32  1  0.168  0.153  0.517  1.0
[/CIF]
.
The material described by Li3V2(O2F)2 crystallizes in the triclinic P1 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(7), one F(2), one F(3), and one F(6) atom to form distorted LiO3F3 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(7)O3F3 octahedra, corners with two equivalent V(6)O6 octahedra,  an edgeedge with one Li(2)O3F3 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and edges with two equivalent Li(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. In the second Li site, Li(2) is bonded to one O(11), one O(3), one O(9), one F(1), one F(3), and one F(6) atom to form distorted LiO3F3 octahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Li(6)O3F3 octahedra, corners with two equivalent V(4)O6 octahedra,  an edgeedge with one Li(1)O3F3 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent Li(7)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 7-18°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(8), one F(1), one F(3), and one F(4) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(12), one O(3), one O(5), one F(1), one F(2), and one F(4) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(10), one O(4), one O(7), one F(2), one F(4), and one F(5) atom. In the sixth Li site, Li(6) is bonded to one O(1), one O(7), one O(8), one F(3), one F(5), and one F(6) atom to form distorted LiO3F3 octahedra that share  a cornercorner with one V(5)O6 octahedra, corners with two equivalent Li(2)O3F3 octahedra, corners with two equivalent V(4)O6 octahedra,  an edgeedge with one Li(7)O3F3 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent Li(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 7-18°. In the seventh Li site, Li(7) is bonded to one O(3), one O(6), one O(9), one F(3), one F(4), and one F(6) atom to form distorted LiO3F3 octahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Li(1)O3F3 octahedra, corners with two equivalent V(6)O6 octahedra,  an edgeedge with one Li(6)O3F3 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with two equivalent Li(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 11-16°. In the eighth Li site, Li(8) is bonded in a 6-coordinate geometry to one O(12), one O(5), one O(9), one F(1), one F(4), and one F(5) atom. In the ninth Li site, Li(9) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(6), one F(2), one F(5), and one F(6) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O3F3 octahedra,  an edgeedge with one Li(1)O3F3 octahedra,  an edgeedge with one Li(6)O3F3 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the second V site, V(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(4), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O3F3 octahedra,  an edgeedge with one Li(2)O3F3 octahedra,  an edgeedge with one Li(7)O3F3 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the third V site, V(3) is bonded to one O(12), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(7)O3F3 octahedra,  an edgeedge with one Li(1)O3F3 octahedra,  an edgeedge with one Li(6)O3F3 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 16°. In the fourth V site, V(4) is bonded to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Li(2)O3F3 octahedra, corners with two equivalent Li(6)O3F3 octahedra,  an edgeedge with one Li(1)O3F3 octahedra,  an edgeedge with one Li(7)O3F3 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. In the fifth V site, V(5) is bonded to one O(10), one O(11), one O(4), one O(6), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(6)O3F3 octahedra,  an edgeedge with one Li(2)O3F3 octahedra,  an edgeedge with one Li(7)O3F3 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the sixth V site, V(6) is bonded to one O(1), one O(10), one O(12), one O(3), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Li(1)O3F3 octahedra, corners with two equivalent Li(7)O3F3 octahedra,  an edgeedge with one Li(2)O3F3 octahedra,  an edgeedge with one Li(6)O3F3 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(6), one V(1), one V(4), and one V(6) atom to form OLi2V3 square pyramids that share corners with two equivalent O(9)Li3V3 octahedra,  a cornercorner with one O(4)Li2V3 square pyramid, corners with two equivalent F(3)Li5 trigonal bipyramids,  a cornercorner with one O(10)LiV3 trigonal pyramid,  an edgeedge with one O(12)Li3V3 octahedra,  an edgeedge with one O(3)Li3V3 octahedra, edges with two equivalent O(7)Li3V3 octahedra,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, and  an edgeedge with one F(6)Li5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-5°. 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(3) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(3)Li3V3 octahedra, corners with two equivalent O(12)Li3V3 octahedra,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one F(4)Li5 trigonal bipyramid,  a cornercorner with one F(6)Li5 trigonal bipyramid,  a cornercorner with one O(10)LiV3 trigonal pyramid,  an edgeedge with one O(7)Li3V3 octahedra,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, and  an edgeedge with one F(3)Li5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-4°. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Li(7), one V(2), one V(4), and one V(6) atom to form distorted OLi3V3 octahedra that share corners with two equivalent O(7)Li3V3 octahedra,  a cornercorner with one O(2)Li2V3 square pyramid, corners with two equivalent F(6)Li5 trigonal bipyramids,  an edgeedge with one O(12)Li3V3 octahedra, edges with two equivalent O(9)Li3V3 octahedra,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one F(3)Li5 trigonal bipyramid,  an edgeedge with one F(4)Li5 trigonal bipyramid, and  an edgeedge with one O(10)LiV3 trigonal pyramid. The corner-sharing octahedral tilt angles are 2°. In the fourth O site, O(4) is bonded to one Li(3), one Li(5), one V(2), one V(4), and one V(5) atom to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(1)Li2V3 square pyramid,  a cornercorner with one O(5)Li2V3 square pyramid,  a cornercorner with one F(3)Li5 trigonal bipyramid,  a cornercorner with one O(10)LiV3 trigonal pyramid,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra,  an edgeedge with one O(9)Li3V3 octahedra,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one F(4)Li5 trigonal bipyramid, and  an edgeedge with one O(10)LiV3 trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(4), 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(4)Li2V3 square pyramid,  a cornercorner with one O(6)Li2V3 square pyramid, corners with two equivalent O(8)Li2V3 square pyramids,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra,  an edgeedge with one O(9)Li3V3 octahedra, edges with two equivalent O(12)Li3V3 octahedra,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one O(2)Li2V3 square pyramid, and  an edgeedge with one F(4)Li5 trigonal bipyramid. In the sixth O site, O(6) is bonded to one Li(7), one Li(9), one V(2), one V(3), and one V(5) atom to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(7)Li3V3 octahedra,  a cornercorner with one O(5)Li2V3 square pyramid,  a cornercorner with one F(3)Li5 trigonal bipyramid,  a cornercorner with one F(4)Li5 trigonal bipyramid, corners with two equivalent O(10)LiV3 trigonal pyramids,  an edgeedge with one O(12)Li3V3 octahedra,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(9)Li3V3 octahedra,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, and  an edgeedge with one F(6)Li5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 5°. In the seventh O site, O(7) is bonded to one Li(1), one Li(5), one Li(6), one V(3), one V(4), and one V(6) atom to form OLi3V3 octahedra that share corners with two equivalent O(3)Li3V3 octahedra,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one F(4)Li5 trigonal bipyramid, corners with two equivalent F(6)Li5 trigonal bipyramids,  an edgeedge with one O(12)Li3V3 octahedra,  an edgeedge with one O(9)Li3V3 octahedra,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, edges with two equivalent O(1)Li2V3 square pyramids,  an edgeedge with one F(3)Li5 trigonal bipyramid, and  an edgeedge with one O(10)LiV3 trigonal pyramid. The corner-sharing octahedral tilt angles are 2°. In the eighth O site, O(8) is bonded to one Li(3), one Li(6), one V(1), one V(3), and one V(5) atom to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(9)Li3V3 octahedra,  a cornercorner with one O(2)Li2V3 square pyramid, corners with two equivalent O(5)Li2V3 square pyramids,  a cornercorner with one F(4)Li5 trigonal bipyramid,  a cornercorner with one F(6)Li5 trigonal bipyramid,  a cornercorner with one O(10)LiV3 trigonal pyramid,  an edgeedge with one O(12)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid, and  an edgeedge with one F(3)Li5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 5°. In the ninth O site, O(9) is bonded to one Li(2), one Li(7), one Li(8), one V(4), one V(5), and one V(6) atom to form distorted OLi3V3 octahedra that share  a cornercorner with one O(8)Li2V3 square pyramid, corners with two equivalent O(1)Li2V3 square pyramids, corners with two equivalent F(3)Li5 trigonal bipyramids,  an edgeedge with one O(12)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra, edges with two equivalent O(3)Li3V3 octahedra,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one F(4)Li5 trigonal bipyramid,  an edgeedge with one F(6)Li5 trigonal bipyramid, and  an edgeedge with one O(10)LiV3 trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(5), one V(2), one V(5), and one V(6) atom to form distorted OLiV3 trigonal pyramids that share  a cornercorner with one O(12)Li3V3 octahedra,  a cornercorner with one O(1)Li2V3 square pyramid,  a cornercorner with one O(2)Li2V3 square pyramid,  a cornercorner with one O(4)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid, corners with two equivalent O(6)Li2V3 square pyramids,  a cornercorner with one F(4)Li5 trigonal bipyramid,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra,  an edgeedge with one O(9)Li3V3 octahedra, and  an edgeedge with one O(4)Li2V3 square pyramid. The corner-sharing octahedral tilt angles are 2°. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Li(9), one V(1), one V(2), and one V(5) atom. In the twelfth O site, O(12) is bonded to one Li(4), one Li(8), one Li(9), one V(1), one V(3), and one V(6) atom to form OLi3V3 octahedra that share corners with two equivalent O(2)Li2V3 square pyramids,  a cornercorner with one F(6)Li5 trigonal bipyramid, corners with two equivalent F(4)Li5 trigonal bipyramids,  a cornercorner with one O(10)LiV3 trigonal pyramid,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra,  an edgeedge with one O(9)Li3V3 octahedra,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, and edges with two equivalent O(5)Li2V3 square pyramids. There are six inequivalent F sites. In the first F site, F(1) is bonded in a see-saw-like geometry to one Li(2), one Li(3), one Li(4), and one Li(8) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(4), one Li(5), and one Li(9) atom. In the third F site, F(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(6), and one Li(7) atom to form FLi5 trigonal bipyramids that share corners with two equivalent O(9)Li3V3 octahedra,  a cornercorner with one O(4)Li2V3 square pyramid,  a cornercorner with one O(6)Li2V3 square pyramid, corners with two equivalent O(1)Li2V3 square pyramids,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(7)Li3V3 octahedra,  an edgeedge with one O(2)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid,  an edgeedge with one F(4)Li5 trigonal bipyramid, and edges with two equivalent F(6)Li5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-11°. In the fourth F site, F(4) is bonded to one Li(3), one Li(4), one Li(5), one Li(7), and one Li(8) atom to form FLi5 trigonal bipyramids that share  a cornercorner with one O(7)Li3V3 octahedra, corners with two equivalent O(12)Li3V3 octahedra,  a cornercorner with one O(2)Li2V3 square pyramid,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one F(6)Li5 trigonal bipyramid,  a cornercorner with one O(10)LiV3 trigonal pyramid,  an edgeedge with one O(3)Li3V3 octahedra,  an edgeedge with one O(9)Li3V3 octahedra,  an edgeedge with one O(4)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid, and  an edgeedge with one F(3)Li5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 14-27°. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(5), one Li(6), one Li(8), and one Li(9) atom. In the sixth F site, F(6) is bonded to one Li(1), one Li(2), one Li(6), one Li(7), and one Li(9) atom to form FLi5 trigonal bipyramids that share  a cornercorner with one O(12)Li3V3 octahedra, corners with two equivalent O(3)Li3V3 octahedra, corners with two equivalent O(7)Li3V3 octahedra,  a cornercorner with one O(2)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one F(4)Li5 trigonal bipyramid,  an edgeedge with one O(9)Li3V3 octahedra,  an edgeedge with one O(1)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid, and edges with two equivalent F(3)Li5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 11-22°. is represented by the CIF file [CIF]
data_Li3V2(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.940
_cell_length_b   7.844
_cell_length_c   7.957
_cell_angle_alpha   106.123
_cell_angle_beta   101.251
_cell_angle_gamma   100.049
_symmetry_Int_Tables_number   1
_cell_volume   338.888
_cell_formula_units_Z   3
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  0.840  0.010  0.367  1.0
  Li  Li1  1  0.990  0.315  0.644  1.0
  Li  Li2  1  0.702  0.362  0.361  1.0
  Li  Li3  1  0.832  0.676  0.638  1.0
  Li  Li4  1  0.509  0.689  0.369  1.0
  Li  Li5  1  0.346  0.003  0.363  1.0
  Li  Li6  1  0.488  0.322  0.634  1.0
  Li  Li7  1  0.299  0.644  0.606  1.0
  Li  Li8  1  0.151  0.961  0.624  1.0
  V  V9  1  0.995  0.002  0.997  1.0
  V  V10  1  0.840  0.338  0.009  1.0
  V  V11  1  0.501  0.998  0.990  1.0
  V  V12  1  0.669  0.667  0.009  1.0
  V  V13  1  0.337  0.333  0.005  1.0
  V  V14  1  0.167  0.667  0.001  1.0
  O  O15  1  0.997  0.828  0.139  1.0
  O  O16  1  0.811  0.159  0.143  1.0
  O  O17  1  0.846  0.507  0.862  1.0
  O  O18  1  0.671  0.482  0.149  1.0
  O  O19  1  0.659  0.842  0.860  1.0
  O  O20  1  0.516  0.177  0.860  1.0
  O  O21  1  0.486  0.827  0.146  1.0
  O  O22  1  0.332  0.142  0.134  1.0
  O  O23  1  0.342  0.510  0.859  1.0
  O  O24  1  0.164  0.506  0.142  1.0
  O  O25  1  0.000  0.188  0.864  1.0
  O  O26  1  0.171  0.832  0.847  1.0
  F  F27  1  0.991  0.500  0.534  1.0
  F  F28  1  0.829  0.835  0.495  1.0
  F  F29  1  0.663  0.179  0.484  1.0
  F  F30  1  0.520  0.514  0.512  1.0
  F  F31  1  0.332  0.830  0.495  1.0
  F  F32  1  0.168  0.153  0.517  1.0
[/CIF]
.