The structure 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(12), one O(3), one O(6), one F(2), 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 V(5)O6 octahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(4)O3F3 octahedra,  an edgeedge with one Li(5)O3F3 octahedra,  an edgeedge with one Li(9)O3F3 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and  an edgeedge with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-16°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(11), one O(4), one F(1), one F(3), and one F(6) atom. In the third Li site, Li(3) is bonded to one O(2), one O(6), one O(8), one F(2), one F(4), and one F(5) atom to form distorted LiO3F3 octahedra that share  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Li(9)O3F3 octahedra, corners with two equivalent V(1)O6 octahedra,  an edgeedge with one Li(1)O3F3 octahedra,  an edgeedge with one Li(4)O3F3 octahedra,  an edgeedge with one Li(5)O3F3 octahedra,  an edgeedge with one Li(7)O3F3 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), one O(9), one F(1), one F(3), and one F(4) atom to form distorted LiO3F3 octahedra that share  a cornercorner with one Li(5)O3F3 octahedra,  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(1)O3F3 octahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-17°. In the fifth Li site, Li(5) is bonded to one O(1), one O(5), one O(7), one F(2), one F(3), and one F(5) atom to form distorted LiO3F3 octahedra that share  a cornercorner with one Li(4)O3F3 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  an edgeedge with one Li(1)O3F3 octahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(7)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(9)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 7-17°. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one O(11), one O(7), one F(3), one F(4), and one F(6) atom. In the seventh Li site, Li(7) is bonded to one O(10), one O(11), one O(5), one F(1), one F(4), and one F(5) atom to form distorted LiO3F3 octahedra that share  a cornercorner with one V(6)O6 octahedra, corners with two equivalent Li(4)O3F3 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(5)O3F3 octahedra,  an edgeedge with one Li(9)O3F3 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-16°. In the eighth Li site, Li(8) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(8), one F(1), one F(2), and one F(5) atom. In the ninth Li site, Li(9) is bonded to one O(1), one O(10), one O(7), one F(2), one F(5), 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(3)O3F3 octahedra, corners with two equivalent V(4)O6 octahedra,  an edgeedge with one Li(1)O3F3 octahedra,  an edgeedge with one Li(7)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(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(4), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O3F3 octahedra,  a cornercorner with one Li(9)O3F3 octahedra, corners with two equivalent Li(3)O3F3 octahedra,  an edgeedge with one Li(4)O3F3 octahedra,  an edgeedge with one Li(7)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 range from 15-16°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(12), one O(2), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(4)O3F3 octahedra, corners with two equivalent Li(7)O3F3 octahedra,  an edgeedge with one Li(1)O3F3 octahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(5)O3F3 octahedra,  an edgeedge with one Li(9)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 range from 7-16°. In the third V site, V(3) is bonded to one O(11), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(5)O3F3 octahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(4)O3F3 octahedra,  an edgeedge with one Li(7)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 15°. In the fourth V site, V(4) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O3F3 octahedra, corners with two equivalent Li(9)O3F3 octahedra,  an edgeedge with one Li(1)O3F3 octahedra,  an edgeedge with one Li(4)O3F3 octahedra,  an edgeedge with one Li(5)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 13-16°. In the fifth V site, V(5) is bonded to one O(10), one O(12), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Li(1)O3F3 octahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(5)O3F3 octahedra,  an edgeedge with one Li(7)O3F3 octahedra,  an edgeedge with one Li(9)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 range from 11-15°. In the sixth V site, V(6) is bonded to one O(1), one O(11), one O(12), one O(3), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(7)O3F3 octahedra, corners with two equivalent Li(4)O3F3 octahedra, corners with two equivalent Li(5)O3F3 octahedra,  an edgeedge with one Li(1)O3F3 octahedra,  an edgeedge with one Li(9)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 10-17°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(5), one Li(9), one V(2), one V(4), and one V(6) atom. In the second O site, O(2) is bonded to one Li(3), one Li(4), one Li(8), one V(1), one V(2), and one V(3) atom to form distorted OLi3V3 octahedra that share corners with two equivalent O(11)Li3V3 octahedra,  a cornercorner with one F(3)Li5 square pyramid, corners with two equivalent F(5)Li5 trigonal bipyramids,  an edgeedge with one O(10)Li2V3 square pyramid,  an edgeedge with one O(12)Li2V3 square pyramid,  an edgeedge with one O(3)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid, edges with two equivalent O(8)Li2V3 square pyramids, and  an edgeedge with one F(2)Li5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 1-3°. In the third O site, O(3) is bonded to one Li(1), one Li(4), one V(1), one V(4), and one V(6) atom to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(10)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one F(2)Li5 trigonal bipyramid,  an edgeedge with one O(11)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(12)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid, and  an edgeedge with one F(3)Li5 square pyramid. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one V(1), one V(3), and one V(4) atom. In the fifth O site, O(5) is bonded to one Li(5), one Li(7), one V(2), one V(3), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(10)Li2V3 square pyramid,  a cornercorner with one F(3)Li5 square pyramid, corners with two equivalent O(12)Li2V3 square pyramids,  a cornercorner with one F(2)Li5 trigonal bipyramid,  an edgeedge with one O(11)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(10)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(5)Li5 trigonal bipyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one V(2), one V(4), and one V(5) atom to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(12)Li2V3 square pyramid,  a cornercorner with one F(3)Li5 square pyramid, corners with two equivalent O(10)Li2V3 square pyramids,  a cornercorner with one F(5)Li5 trigonal bipyramid,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(12)Li2V3 square pyramid,  an edgeedge with one O(3)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(2)Li5 trigonal bipyramid. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Li(5), one Li(6), one Li(9), one V(4), one V(5), and one V(6) atom. In the eighth O site, O(8) is bonded to one Li(3), one Li(8), one V(1), one V(3), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(3)Li2V3 square pyramid, corners with two equivalent F(2)Li5 trigonal bipyramids,  an edgeedge with one O(11)Li3V3 octahedra, edges with two equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(10)Li2V3 square pyramid,  an edgeedge with one O(12)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid, and  an edgeedge with one F(5)Li5 trigonal bipyramid. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(3), one V(4), and one V(6) atom. In the tenth O site, O(10) is bonded to one Li(7), one Li(9), one V(1), one V(2), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(3)Li2V3 square pyramid,  a cornercorner with one O(5)Li2V3 square pyramid, corners with two equivalent O(6)Li2V3 square pyramids,  a cornercorner with one F(2)Li5 trigonal bipyramid,  an edgeedge with one O(11)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(12)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(5)Li5 trigonal bipyramid. In the eleventh O site, O(11) is bonded to one Li(2), one Li(6), one Li(7), one V(1), one V(3), and one V(6) atom to form distorted OLi3V3 octahedra that share corners with two equivalent O(2)Li3V3 octahedra,  a cornercorner with one O(12)Li2V3 square pyramid, corners with two equivalent F(3)Li5 square pyramids,  a cornercorner with one F(5)Li5 trigonal bipyramid,  an edgeedge with one O(10)Li2V3 square pyramid,  an edgeedge with one O(3)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid, and  an edgeedge with one O(8)Li2V3 square pyramid. The corner-sharing octahedral tilt angles range from 1-3°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(8), one V(2), one V(5), and one V(6) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(11)Li3V3 octahedra,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one F(3)Li5 square pyramid, corners with two equivalent O(5)Li2V3 square pyramids,  a cornercorner with one F(5)Li5 trigonal bipyramid,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(10)Li2V3 square pyramid,  an edgeedge with one O(3)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(2)Li5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 6°. There are six 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(4), one Li(7), and one Li(8) atom. In the second F site, F(2) is bonded to one Li(1), one Li(3), one Li(5), one Li(8), and one Li(9) atom to form FLi5 trigonal bipyramids that share  a cornercorner with one O(10)Li2V3 square pyramid,  a cornercorner with one O(3)Li2V3 square pyramid,  a cornercorner with one O(5)Li2V3 square pyramid, corners with two equivalent O(8)Li2V3 square pyramids,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(12)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one F(3)Li5 square pyramid, and edges with two equivalent F(5)Li5 trigonal bipyramids. In the third F site, F(3) is bonded to one Li(1), one Li(2), one Li(4), one Li(5), and one Li(6) atom to form FLi5 square pyramids that share  a cornercorner with one O(2)Li3V3 octahedra, corners with two equivalent O(11)Li3V3 octahedra,  a cornercorner with one O(12)Li2V3 square pyramid,  a cornercorner with one O(5)Li2V3 square pyramid,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one F(5)Li5 trigonal bipyramid,  an edgeedge with one O(3)Li2V3 square pyramid, and  an edgeedge with one F(2)Li5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 12-30°. In the fourth F site, F(4) is bonded in a square co-planar geometry to one Li(3), one Li(4), one Li(6), and one Li(7) atom. In the fifth F site, F(5) is bonded to one Li(3), one Li(5), one Li(7), one Li(8), and one Li(9) atom to form FLi5 trigonal bipyramids that share  a cornercorner with one O(11)Li3V3 octahedra, corners with two equivalent O(2)Li3V3 octahedra,  a cornercorner with one O(12)Li2V3 square pyramid,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one F(3)Li5 square pyramid,  an edgeedge with one O(10)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, and edges with two equivalent F(2)Li5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 13-18°. In the sixth F site, F(6) is bonded in a see-saw-like geometry to one Li(1), one Li(2), one Li(6), and one Li(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V2(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.935
_cell_length_b   7.379
_cell_length_c   7.892
_cell_angle_alpha   90.898
_cell_angle_beta   100.378
_cell_angle_gamma   90.377
_symmetry_Int_Tables_number   1
_cell_volume   339.898
_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  0.086  0.642  0.427  1.0
  Li  Li1  1  0.049  0.358  0.199  1.0
  Li  Li2  1  0.448  0.631  0.791  1.0
  Li  Li3  1  0.277  0.629  0.103  1.0
  Li  Li4  1  0.389  0.374  0.553  1.0
  Li  Li5  1  0.573  0.400  0.224  1.0
  Li  Li6  1  0.723  0.366  0.908  1.0
  Li  Li7  1  0.950  0.630  0.788  1.0
  Li  Li8  1  0.890  0.356  0.563  1.0
  V  V9  1  0.991  0.000  0.997  1.0
  V  V10  1  0.166  0.005  0.672  1.0
  V  V11  1  0.493  0.005  0.998  1.0
  V  V12  1  0.342  0.003  0.337  1.0
  V  V13  1  0.665  0.991  0.661  1.0
  V  V14  1  0.835  0.990  0.328  1.0
  O  O15  1  0.119  0.139  0.462  1.0
  O  O16  1  0.210  0.853  0.873  1.0
  O  O17  1  0.049  0.856  0.234  1.0
  O  O18  1  0.269  0.137  0.117  1.0
  O  O19  1  0.449  0.142  0.772  1.0
  O  O20  1  0.393  0.860  0.563  1.0
  O  O21  1  0.637  0.142  0.448  1.0
  O  O22  1  0.714  0.857  0.876  1.0
  O  O23  1  0.555  0.864  0.218  1.0
  O  O24  1  0.928  0.142  0.767  1.0
  O  O25  1  0.782  0.147  0.117  1.0
  O  O26  1  0.893  0.857  0.554  1.0
  F  F27  1  0.001  0.502  0.998  1.0
  F  F28  1  0.166  0.519  0.649  1.0
  F  F29  1  0.318  0.490  0.323  1.0
  F  F30  1  0.500  0.504  0.003  1.0
  F  F31  1  0.670  0.484  0.686  1.0
  F  F32  1  0.858  0.465  0.345  1.0
[/CIF]
.
The structure 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(12), one O(3), one O(6), one F(2), 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 V(5)O6 octahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(4)O3F3 octahedra,  an edgeedge with one Li(5)O3F3 octahedra,  an edgeedge with one Li(9)O3F3 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and  an edgeedge with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-16°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(11), one O(4), one F(1), one F(3), and one F(6) atom. In the third Li site, Li(3) is bonded to one O(2), one O(6), one O(8), one F(2), one F(4), and one F(5) atom to form distorted LiO3F3 octahedra that share  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Li(9)O3F3 octahedra, corners with two equivalent V(1)O6 octahedra,  an edgeedge with one Li(1)O3F3 octahedra,  an edgeedge with one Li(4)O3F3 octahedra,  an edgeedge with one Li(5)O3F3 octahedra,  an edgeedge with one Li(7)O3F3 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), one O(9), one F(1), one F(3), and one F(4) atom to form distorted LiO3F3 octahedra that share  a cornercorner with one Li(5)O3F3 octahedra,  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(1)O3F3 octahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-17°. In the fifth Li site, Li(5) is bonded to one O(1), one O(5), one O(7), one F(2), one F(3), and one F(5) atom to form distorted LiO3F3 octahedra that share  a cornercorner with one Li(4)O3F3 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  an edgeedge with one Li(1)O3F3 octahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(7)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(9)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 7-17°. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one O(11), one O(7), one F(3), one F(4), and one F(6) atom. In the seventh Li site, Li(7) is bonded to one O(10), one O(11), one O(5), one F(1), one F(4), and one F(5) atom to form distorted LiO3F3 octahedra that share  a cornercorner with one V(6)O6 octahedra, corners with two equivalent Li(4)O3F3 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(5)O3F3 octahedra,  an edgeedge with one Li(9)O3F3 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-16°. In the eighth Li site, Li(8) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(8), one F(1), one F(2), and one F(5) atom. In the ninth Li site, Li(9) is bonded to one O(1), one O(10), one O(7), one F(2), one F(5), 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(3)O3F3 octahedra, corners with two equivalent V(4)O6 octahedra,  an edgeedge with one Li(1)O3F3 octahedra,  an edgeedge with one Li(7)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(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(4), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O3F3 octahedra,  a cornercorner with one Li(9)O3F3 octahedra, corners with two equivalent Li(3)O3F3 octahedra,  an edgeedge with one Li(4)O3F3 octahedra,  an edgeedge with one Li(7)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 range from 15-16°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(12), one O(2), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(4)O3F3 octahedra, corners with two equivalent Li(7)O3F3 octahedra,  an edgeedge with one Li(1)O3F3 octahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(5)O3F3 octahedra,  an edgeedge with one Li(9)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 range from 7-16°. In the third V site, V(3) is bonded to one O(11), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(5)O3F3 octahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(4)O3F3 octahedra,  an edgeedge with one Li(7)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 15°. In the fourth V site, V(4) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(3)O3F3 octahedra, corners with two equivalent Li(9)O3F3 octahedra,  an edgeedge with one Li(1)O3F3 octahedra,  an edgeedge with one Li(4)O3F3 octahedra,  an edgeedge with one Li(5)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 13-16°. In the fifth V site, V(5) is bonded to one O(10), one O(12), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent Li(1)O3F3 octahedra,  an edgeedge with one Li(3)O3F3 octahedra,  an edgeedge with one Li(5)O3F3 octahedra,  an edgeedge with one Li(7)O3F3 octahedra,  an edgeedge with one Li(9)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 range from 11-15°. In the sixth V site, V(6) is bonded to one O(1), one O(11), one O(12), one O(3), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(7)O3F3 octahedra, corners with two equivalent Li(4)O3F3 octahedra, corners with two equivalent Li(5)O3F3 octahedra,  an edgeedge with one Li(1)O3F3 octahedra,  an edgeedge with one Li(9)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 10-17°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(5), one Li(9), one V(2), one V(4), and one V(6) atom. In the second O site, O(2) is bonded to one Li(3), one Li(4), one Li(8), one V(1), one V(2), and one V(3) atom to form distorted OLi3V3 octahedra that share corners with two equivalent O(11)Li3V3 octahedra,  a cornercorner with one F(3)Li5 square pyramid, corners with two equivalent F(5)Li5 trigonal bipyramids,  an edgeedge with one O(10)Li2V3 square pyramid,  an edgeedge with one O(12)Li2V3 square pyramid,  an edgeedge with one O(3)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid, edges with two equivalent O(8)Li2V3 square pyramids, and  an edgeedge with one F(2)Li5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 1-3°. In the third O site, O(3) is bonded to one Li(1), one Li(4), one V(1), one V(4), and one V(6) atom to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(10)Li2V3 square pyramid,  a cornercorner with one O(8)Li2V3 square pyramid,  a cornercorner with one F(2)Li5 trigonal bipyramid,  an edgeedge with one O(11)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(12)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid, and  an edgeedge with one F(3)Li5 square pyramid. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one V(1), one V(3), and one V(4) atom. In the fifth O site, O(5) is bonded to one Li(5), one Li(7), one V(2), one V(3), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(10)Li2V3 square pyramid,  a cornercorner with one F(3)Li5 square pyramid, corners with two equivalent O(12)Li2V3 square pyramids,  a cornercorner with one F(2)Li5 trigonal bipyramid,  an edgeedge with one O(11)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(10)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(5)Li5 trigonal bipyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one V(2), one V(4), and one V(5) atom to form distorted OLi2V3 square pyramids that share  a cornercorner with one O(12)Li2V3 square pyramid,  a cornercorner with one F(3)Li5 square pyramid, corners with two equivalent O(10)Li2V3 square pyramids,  a cornercorner with one F(5)Li5 trigonal bipyramid,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(12)Li2V3 square pyramid,  an edgeedge with one O(3)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(2)Li5 trigonal bipyramid. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Li(5), one Li(6), one Li(9), one V(4), one V(5), and one V(6) atom. In the eighth O site, O(8) is bonded to one Li(3), one Li(8), one V(1), one V(3), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(3)Li2V3 square pyramid, corners with two equivalent F(2)Li5 trigonal bipyramids,  an edgeedge with one O(11)Li3V3 octahedra, edges with two equivalent O(2)Li3V3 octahedra,  an edgeedge with one O(10)Li2V3 square pyramid,  an edgeedge with one O(12)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid, and  an edgeedge with one F(5)Li5 trigonal bipyramid. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(3), one V(4), and one V(6) atom. In the tenth O site, O(10) is bonded to one Li(7), one Li(9), one V(1), one V(2), and one V(5) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(3)Li2V3 square pyramid,  a cornercorner with one O(5)Li2V3 square pyramid, corners with two equivalent O(6)Li2V3 square pyramids,  a cornercorner with one F(2)Li5 trigonal bipyramid,  an edgeedge with one O(11)Li3V3 octahedra,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(12)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(5)Li5 trigonal bipyramid. In the eleventh O site, O(11) is bonded to one Li(2), one Li(6), one Li(7), one V(1), one V(3), and one V(6) atom to form distorted OLi3V3 octahedra that share corners with two equivalent O(2)Li3V3 octahedra,  a cornercorner with one O(12)Li2V3 square pyramid, corners with two equivalent F(3)Li5 square pyramids,  a cornercorner with one F(5)Li5 trigonal bipyramid,  an edgeedge with one O(10)Li2V3 square pyramid,  an edgeedge with one O(3)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid, and  an edgeedge with one O(8)Li2V3 square pyramid. The corner-sharing octahedral tilt angles range from 1-3°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(8), one V(2), one V(5), and one V(6) atom to form OLi2V3 square pyramids that share  a cornercorner with one O(11)Li3V3 octahedra,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one F(3)Li5 square pyramid, corners with two equivalent O(5)Li2V3 square pyramids,  a cornercorner with one F(5)Li5 trigonal bipyramid,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(10)Li2V3 square pyramid,  an edgeedge with one O(3)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(2)Li5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 6°. There are six 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(4), one Li(7), and one Li(8) atom. In the second F site, F(2) is bonded to one Li(1), one Li(3), one Li(5), one Li(8), and one Li(9) atom to form FLi5 trigonal bipyramids that share  a cornercorner with one O(10)Li2V3 square pyramid,  a cornercorner with one O(3)Li2V3 square pyramid,  a cornercorner with one O(5)Li2V3 square pyramid, corners with two equivalent O(8)Li2V3 square pyramids,  an edgeedge with one O(2)Li3V3 octahedra,  an edgeedge with one O(12)Li2V3 square pyramid,  an edgeedge with one O(6)Li2V3 square pyramid,  an edgeedge with one F(3)Li5 square pyramid, and edges with two equivalent F(5)Li5 trigonal bipyramids. In the third F site, F(3) is bonded to one Li(1), one Li(2), one Li(4), one Li(5), and one Li(6) atom to form FLi5 square pyramids that share  a cornercorner with one O(2)Li3V3 octahedra, corners with two equivalent O(11)Li3V3 octahedra,  a cornercorner with one O(12)Li2V3 square pyramid,  a cornercorner with one O(5)Li2V3 square pyramid,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one F(5)Li5 trigonal bipyramid,  an edgeedge with one O(3)Li2V3 square pyramid, and  an edgeedge with one F(2)Li5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 12-30°. In the fourth F site, F(4) is bonded in a square co-planar geometry to one Li(3), one Li(4), one Li(6), and one Li(7) atom. In the fifth F site, F(5) is bonded to one Li(3), one Li(5), one Li(7), one Li(8), and one Li(9) atom to form FLi5 trigonal bipyramids that share  a cornercorner with one O(11)Li3V3 octahedra, corners with two equivalent O(2)Li3V3 octahedra,  a cornercorner with one O(12)Li2V3 square pyramid,  a cornercorner with one O(6)Li2V3 square pyramid,  a cornercorner with one F(3)Li5 square pyramid,  an edgeedge with one O(10)Li2V3 square pyramid,  an edgeedge with one O(5)Li2V3 square pyramid,  an edgeedge with one O(8)Li2V3 square pyramid, and edges with two equivalent F(2)Li5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 13-18°. In the sixth F site, F(6) is bonded in a see-saw-like geometry to one Li(1), one Li(2), one Li(6), and one Li(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V2(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.935
_cell_length_b   7.379
_cell_length_c   7.892
_cell_angle_alpha   90.898
_cell_angle_beta   100.378
_cell_angle_gamma   90.377
_symmetry_Int_Tables_number   1
_cell_volume   339.898
_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  0.086  0.642  0.427  1.0
  Li  Li1  1  0.049  0.358  0.199  1.0
  Li  Li2  1  0.448  0.631  0.791  1.0
  Li  Li3  1  0.277  0.629  0.103  1.0
  Li  Li4  1  0.389  0.374  0.553  1.0
  Li  Li5  1  0.573  0.400  0.224  1.0
  Li  Li6  1  0.723  0.366  0.908  1.0
  Li  Li7  1  0.950  0.630  0.788  1.0
  Li  Li8  1  0.890  0.356  0.563  1.0
  V  V9  1  0.991  0.000  0.997  1.0
  V  V10  1  0.166  0.005  0.672  1.0
  V  V11  1  0.493  0.005  0.998  1.0
  V  V12  1  0.342  0.003  0.337  1.0
  V  V13  1  0.665  0.991  0.661  1.0
  V  V14  1  0.835  0.990  0.328  1.0
  O  O15  1  0.119  0.139  0.462  1.0
  O  O16  1  0.210  0.853  0.873  1.0
  O  O17  1  0.049  0.856  0.234  1.0
  O  O18  1  0.269  0.137  0.117  1.0
  O  O19  1  0.449  0.142  0.772  1.0
  O  O20  1  0.393  0.860  0.563  1.0
  O  O21  1  0.637  0.142  0.448  1.0
  O  O22  1  0.714  0.857  0.876  1.0
  O  O23  1  0.555  0.864  0.218  1.0
  O  O24  1  0.928  0.142  0.767  1.0
  O  O25  1  0.782  0.147  0.117  1.0
  O  O26  1  0.893  0.857  0.554  1.0
  F  F27  1  0.001  0.502  0.998  1.0
  F  F28  1  0.166  0.519  0.649  1.0
  F  F29  1  0.318  0.490  0.323  1.0
  F  F30  1  0.500  0.504  0.003  1.0
  F  F31  1  0.670  0.484  0.686  1.0
  F  F32  1  0.858  0.465  0.345  1.0
[/CIF]
.