The material described by Li7V(O2F)2 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one F(1), one F(2), and one F(4) atom to form distorted LiOF3 trigonal pyramids that share corners with two equivalent V(2)O4F2 octahedra,  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with two equivalent Li(3)O2F2 tetrahedra, corners with two equivalent Li(8)O3F tetrahedra, and  an edgeedge with one V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 29-52°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent V(1)O4F2 octahedra,  a cornercorner with one Li(14)O4F square pyramid, corners with two equivalent Li(7)O5 square pyramids,  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(8)O3F tetrahedra, corners with two equivalent Li(10)O3F tetrahedra, corners with two equivalent Li(9)O3F tetrahedra,  an edgeedge with one V(2)O4F2 octahedra,  an edgeedge with one Li(14)O4F square pyramid,  an edgeedge with one Li(7)O5 square pyramid,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(11)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-55°. In the third Li site, Li(3) is bonded to one O(3), one O(6), one F(1), and one F(4) atom to form distorted LiO2F2 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Li(7)O5 square pyramid,  a cornercorner with one Li(8)O3F tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(9)O3F tetrahedra, corners with two equivalent Li(1)OF3 trigonal pyramids,  an edgeedge with one V(2)O4F2 octahedra, and  an edgeedge with one Li(11)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-49°. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one O(2), one O(5), one F(2), and one F(3) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(6), one O(8), one F(1), and one F(2) atom. In the sixth Li site, Li(6) is bonded to one O(1), one O(4), one O(5), and one F(3) atom to form LiO3F tetrahedra that share corners with two equivalent V(1)O4F2 octahedra,  a cornercorner with one Li(14)O4F square pyramid, corners with two equivalent Li(7)O5 square pyramids,  a cornercorner with one Li(11)O4 tetrahedra, corners with two equivalent Li(13)O3F tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one Li(14)O4F square pyramid,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(8)O3F tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-58°. In the seventh Li site, Li(7) is bonded to one O(1), one O(3), one O(4), one O(7), and one O(8) atom to form distorted LiO5 square pyramids that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(8)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with two equivalent Li(6)O3F tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(11)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one V(2)O4F2 octahedra, edges with two equivalent Li(14)O4F square pyramids,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 80°. In the eighth Li site, Li(8) is bonded to one O(2), one O(4), one O(5), and one F(4) atom to form LiO3F tetrahedra that share corners with two equivalent V(1)O4F2 octahedra,  a cornercorner with one Li(14)O4F square pyramid,  a cornercorner with one Li(7)O5 square pyramid,  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(10)O3F tetrahedra, corners with two equivalent Li(1)OF3 trigonal pyramids,  an edgeedge with one V(1)O4F2 octahedra, and  an edgeedge with one Li(6)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 31-48°. In the ninth Li site, Li(9) is bonded to one O(3), one O(7), one O(8), and one F(1) atom to form distorted LiO3F tetrahedra that share corners with two equivalent V(2)O4F2 octahedra,  a cornercorner with one Li(7)O5 square pyramid, corners with two equivalent Li(14)O4F square pyramids,  a cornercorner with one Li(10)O3F tetrahedra, corners with two equivalent Li(3)O2F2 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(1)OF3 trigonal pyramid,  an edgeedge with one V(2)O4F2 octahedra,  an edgeedge with one Li(7)O5 square pyramid,  an edgeedge with one Li(13)O3F tetrahedra, and  an edgeedge with one Li(11)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-55°. In the tenth Li site, Li(10) is bonded to one O(2), one O(4), one O(7), and one F(3) atom to form LiO3F tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra, corners with three equivalent Li(14)O4F square pyramids,  a cornercorner with one Li(9)O3F tetrahedra, corners with two equivalent Li(8)O3F tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(1)OF3 trigonal pyramid,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one Li(7)O5 square pyramid,  an edgeedge with one Li(13)O3F tetrahedra, and  an edgeedge with one Li(6)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 20-57°. In the eleventh Li site, Li(11) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra, corners with three equivalent Li(7)O5 square pyramids,  a cornercorner with one Li(6)O3F tetrahedra, corners with two equivalent Li(13)O3F tetrahedra,  an edgeedge with one V(2)O4F2 octahedra,  an edgeedge with one Li(14)O4F square pyramid,  an edgeedge with one Li(3)O2F2 tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-57°. In the twelfth Li site, Li(12) is bonded in a 3-coordinate geometry to one O(5), one O(6), one F(2), and one F(4) atom. In the thirteenth Li site, Li(13) is bonded to one O(1), one O(7), one O(8), and one F(3) atom to form LiO3F tetrahedra that share corners with two equivalent V(2)O4F2 octahedra,  a cornercorner with one Li(7)O5 square pyramid, corners with two equivalent Li(14)O4F square pyramids, corners with two equivalent Li(6)O3F tetrahedra, corners with two equivalent Li(11)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one Li(14)O4F square pyramid,  an edgeedge with one Li(7)O5 square pyramid,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-57°. In the fourteenth Li site, Li(14) is bonded to one O(1), one O(4), one O(7), one O(8), and one F(3) atom to form distorted LiO4F square pyramids that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one Li(6)O3F tetrahedra,  a cornercorner with one Li(8)O3F tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(13)O3F tetrahedra, corners with two equivalent Li(9)O3F tetrahedra, corners with three equivalent Li(10)O3F tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one V(2)O4F2 octahedra, edges with two equivalent Li(7)O5 square pyramids,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra,  an edgeedge with one Li(11)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 81°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), one O(5), one F(3), and one F(4) atom to form distorted VO4F2 octahedra that share  a cornercorner with one Li(14)O4F square pyramid,  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra, corners with two equivalent Li(6)O3F tetrahedra, corners with two equivalent Li(8)O3F tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(14)O4F square pyramid,  an edgeedge with one Li(7)O5 square pyramid,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra,  an edgeedge with one Li(8)O3F tetrahedra, and  an edgeedge with one Li(1)OF3 trigonal pyramid. In the second V site, V(2) is bonded to one O(3), one O(6), one O(7), one O(8), one F(1), and one F(2) atom to form distorted VO4F2 octahedra that share  a cornercorner with one Li(7)O5 square pyramid,  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra, corners with two equivalent Li(13)O3F tetrahedra, corners with two equivalent Li(9)O3F tetrahedra, corners with two equivalent Li(1)OF3 trigonal pyramids,  an edgeedge with one Li(14)O4F square pyramid,  an edgeedge with one Li(7)O5 square pyramid,  an edgeedge with one Li(3)O2F2 tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra,  an edgeedge with one Li(11)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), one Li(14), one Li(2), one Li(6), one Li(7), and one V(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(10), one Li(4), one Li(8), and one V(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(11), one Li(2), one Li(3), one Li(7), one Li(9), and one V(2) atom. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(10), one Li(14), one Li(2), one Li(6), one Li(7), one Li(8), and one V(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(12), one Li(4), one Li(6), one Li(8), and one V(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(11), one Li(12), one Li(3), one Li(5), and one V(2) atom. In the seventh O site, O(7) is bonded in a distorted pentagonal bipyramidal geometry to one Li(10), one Li(13), one Li(14), one Li(2), one Li(7), one Li(9), and one V(2) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), one Li(14), one Li(5), one Li(7), one Li(9), and one V(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(9), and one V(2) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(12), one Li(4), one Li(5), and one V(2) atom. In the third F site, F(3) is bonded in a 6-coordinate geometry to one Li(10), one Li(13), one Li(14), one Li(4), one Li(6), and one V(1) atom. In the fourth F site, F(4) is bonded in a 5-coordinate geometry to one Li(1), one Li(12), one Li(3), one Li(8), and one V(1) atom. is represented by the CIF card [CIF]
data_Li7V(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.523
_cell_length_b   5.859
_cell_length_c   9.853
_cell_angle_alpha   74.241
_cell_angle_beta   89.664
_cell_angle_gamma   62.708
_symmetry_Int_Tables_number   1
_cell_volume   270.057
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  F  F0  1  0.769  0.743  0.391  1.0
  F  F1  1  0.214  0.267  0.310  1.0
  F  F2  1  0.183  0.260  0.939  1.0
  F  F3  1  0.294  0.740  0.190  1.0
  Li  Li4  1  0.968  0.703  0.236  1.0
  Li  Li5  1  0.502  0.642  0.749  1.0
  Li  Li6  1  0.456  0.664  0.381  1.0
  Li  Li7  1  0.037  0.325  0.128  1.0
  Li  Li8  1  0.971  0.290  0.454  1.0
  Li  Li9  1  0.472  0.357  0.952  1.0
  Li  Li10  1  0.021  0.978  0.685  1.0
  Li  Li11  1  0.549  0.651  0.051  1.0
  Li  Li12  1  0.040  0.660  0.549  1.0
  Li  Li13  1  0.983  0.648  0.878  1.0
  Li  Li14  1  0.504  0.376  0.615  1.0
  Li  Li15  1  0.580  0.256  0.266  1.0
  Li  Li16  1  0.967  0.368  0.745  1.0
  Li  Li17  1  0.484  0.034  0.808  1.0
  O  O18  1  0.704  0.242  0.805  1.0
  O  O19  1  0.846  0.730  0.046  1.0
  O  O20  1  0.309  0.781  0.550  1.0
  O  O21  1  0.268  0.773  0.884  1.0
  O  O22  1  0.756  0.236  0.102  1.0
  O  O23  1  0.651  0.259  0.456  1.0
  O  O24  1  0.778  0.766  0.695  1.0
  O  O25  1  0.214  0.256  0.619  1.0
  V  V26  1  0.976  0.992  0.990  1.0
  V  V27  1  0.504  0.002  0.525  1.0
[/CIF]
.
The material described by Li7V(O2F)2 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one F(1), one F(2), and one F(4) atom to form distorted LiOF3 trigonal pyramids that share corners with two equivalent V(2)O4F2 octahedra,  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with two equivalent Li(3)O2F2 tetrahedra, corners with two equivalent Li(8)O3F tetrahedra, and  an edgeedge with one V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 29-52°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent V(1)O4F2 octahedra,  a cornercorner with one Li(14)O4F square pyramid, corners with two equivalent Li(7)O5 square pyramids,  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(8)O3F tetrahedra, corners with two equivalent Li(10)O3F tetrahedra, corners with two equivalent Li(9)O3F tetrahedra,  an edgeedge with one V(2)O4F2 octahedra,  an edgeedge with one Li(14)O4F square pyramid,  an edgeedge with one Li(7)O5 square pyramid,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra, and  an edgeedge with one Li(11)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-55°. In the third Li site, Li(3) is bonded to one O(3), one O(6), one F(1), and one F(4) atom to form distorted LiO2F2 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Li(7)O5 square pyramid,  a cornercorner with one Li(8)O3F tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(9)O3F tetrahedra, corners with two equivalent Li(1)OF3 trigonal pyramids,  an edgeedge with one V(2)O4F2 octahedra, and  an edgeedge with one Li(11)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-49°. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one O(2), one O(5), one F(2), and one F(3) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(6), one O(8), one F(1), and one F(2) atom. In the sixth Li site, Li(6) is bonded to one O(1), one O(4), one O(5), and one F(3) atom to form LiO3F tetrahedra that share corners with two equivalent V(1)O4F2 octahedra,  a cornercorner with one Li(14)O4F square pyramid, corners with two equivalent Li(7)O5 square pyramids,  a cornercorner with one Li(11)O4 tetrahedra, corners with two equivalent Li(13)O3F tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one Li(14)O4F square pyramid,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(8)O3F tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-58°. In the seventh Li site, Li(7) is bonded to one O(1), one O(3), one O(4), one O(7), and one O(8) atom to form distorted LiO5 square pyramids that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(13)O3F tetrahedra,  a cornercorner with one Li(8)O3F tetrahedra,  a cornercorner with one Li(9)O3F tetrahedra, corners with two equivalent Li(6)O3F tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(11)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one V(2)O4F2 octahedra, edges with two equivalent Li(14)O4F square pyramids,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 80°. In the eighth Li site, Li(8) is bonded to one O(2), one O(4), one O(5), and one F(4) atom to form LiO3F tetrahedra that share corners with two equivalent V(1)O4F2 octahedra,  a cornercorner with one Li(14)O4F square pyramid,  a cornercorner with one Li(7)O5 square pyramid,  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(10)O3F tetrahedra, corners with two equivalent Li(1)OF3 trigonal pyramids,  an edgeedge with one V(1)O4F2 octahedra, and  an edgeedge with one Li(6)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 31-48°. In the ninth Li site, Li(9) is bonded to one O(3), one O(7), one O(8), and one F(1) atom to form distorted LiO3F tetrahedra that share corners with two equivalent V(2)O4F2 octahedra,  a cornercorner with one Li(7)O5 square pyramid, corners with two equivalent Li(14)O4F square pyramids,  a cornercorner with one Li(10)O3F tetrahedra, corners with two equivalent Li(3)O2F2 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(1)OF3 trigonal pyramid,  an edgeedge with one V(2)O4F2 octahedra,  an edgeedge with one Li(7)O5 square pyramid,  an edgeedge with one Li(13)O3F tetrahedra, and  an edgeedge with one Li(11)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-55°. In the tenth Li site, Li(10) is bonded to one O(2), one O(4), one O(7), and one F(3) atom to form LiO3F tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra, corners with three equivalent Li(14)O4F square pyramids,  a cornercorner with one Li(9)O3F tetrahedra, corners with two equivalent Li(8)O3F tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(1)OF3 trigonal pyramid,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one Li(7)O5 square pyramid,  an edgeedge with one Li(13)O3F tetrahedra, and  an edgeedge with one Li(6)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 20-57°. In the eleventh Li site, Li(11) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra, corners with three equivalent Li(7)O5 square pyramids,  a cornercorner with one Li(6)O3F tetrahedra, corners with two equivalent Li(13)O3F tetrahedra,  an edgeedge with one V(2)O4F2 octahedra,  an edgeedge with one Li(14)O4F square pyramid,  an edgeedge with one Li(3)O2F2 tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-57°. In the twelfth Li site, Li(12) is bonded in a 3-coordinate geometry to one O(5), one O(6), one F(2), and one F(4) atom. In the thirteenth Li site, Li(13) is bonded to one O(1), one O(7), one O(8), and one F(3) atom to form LiO3F tetrahedra that share corners with two equivalent V(2)O4F2 octahedra,  a cornercorner with one Li(7)O5 square pyramid, corners with two equivalent Li(14)O4F square pyramids, corners with two equivalent Li(6)O3F tetrahedra, corners with two equivalent Li(11)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one Li(14)O4F square pyramid,  an edgeedge with one Li(7)O5 square pyramid,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-57°. In the fourteenth Li site, Li(14) is bonded to one O(1), one O(4), one O(7), one O(8), and one F(3) atom to form distorted LiO4F square pyramids that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one Li(6)O3F tetrahedra,  a cornercorner with one Li(8)O3F tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(13)O3F tetrahedra, corners with two equivalent Li(9)O3F tetrahedra, corners with three equivalent Li(10)O3F tetrahedra,  an edgeedge with one V(1)O4F2 octahedra,  an edgeedge with one V(2)O4F2 octahedra, edges with two equivalent Li(7)O5 square pyramids,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra,  an edgeedge with one Li(11)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 81°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), one O(5), one F(3), and one F(4) atom to form distorted VO4F2 octahedra that share  a cornercorner with one Li(14)O4F square pyramid,  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra, corners with two equivalent Li(6)O3F tetrahedra, corners with two equivalent Li(8)O3F tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(14)O4F square pyramid,  an edgeedge with one Li(7)O5 square pyramid,  an edgeedge with one Li(10)O3F tetrahedra,  an edgeedge with one Li(13)O3F tetrahedra,  an edgeedge with one Li(6)O3F tetrahedra,  an edgeedge with one Li(8)O3F tetrahedra, and  an edgeedge with one Li(1)OF3 trigonal pyramid. In the second V site, V(2) is bonded to one O(3), one O(6), one O(7), one O(8), one F(1), and one F(2) atom to form distorted VO4F2 octahedra that share  a cornercorner with one Li(7)O5 square pyramid,  a cornercorner with one Li(3)O2F2 tetrahedra,  a cornercorner with one Li(10)O3F tetrahedra,  a cornercorner with one Li(11)O4 tetrahedra, corners with two equivalent Li(13)O3F tetrahedra, corners with two equivalent Li(9)O3F tetrahedra, corners with two equivalent Li(1)OF3 trigonal pyramids,  an edgeedge with one Li(14)O4F square pyramid,  an edgeedge with one Li(7)O5 square pyramid,  an edgeedge with one Li(3)O2F2 tetrahedra,  an edgeedge with one Li(9)O3F tetrahedra,  an edgeedge with one Li(11)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), one Li(14), one Li(2), one Li(6), one Li(7), and one V(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(10), one Li(4), one Li(8), and one V(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(11), one Li(2), one Li(3), one Li(7), one Li(9), and one V(2) atom. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(10), one Li(14), one Li(2), one Li(6), one Li(7), one Li(8), and one V(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(12), one Li(4), one Li(6), one Li(8), and one V(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(11), one Li(12), one Li(3), one Li(5), and one V(2) atom. In the seventh O site, O(7) is bonded in a distorted pentagonal bipyramidal geometry to one Li(10), one Li(13), one Li(14), one Li(2), one Li(7), one Li(9), and one V(2) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(11), one Li(13), one Li(14), one Li(5), one Li(7), one Li(9), and one V(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(9), and one V(2) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(12), one Li(4), one Li(5), and one V(2) atom. In the third F site, F(3) is bonded in a 6-coordinate geometry to one Li(10), one Li(13), one Li(14), one Li(4), one Li(6), and one V(1) atom. In the fourth F site, F(4) is bonded in a 5-coordinate geometry to one Li(1), one Li(12), one Li(3), one Li(8), and one V(1) atom. is represented by the CIF card [CIF]
data_Li7V(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.523
_cell_length_b   5.859
_cell_length_c   9.853
_cell_angle_alpha   74.241
_cell_angle_beta   89.664
_cell_angle_gamma   62.708
_symmetry_Int_Tables_number   1
_cell_volume   270.057
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  F  F0  1  0.769  0.743  0.391  1.0
  F  F1  1  0.214  0.267  0.310  1.0
  F  F2  1  0.183  0.260  0.939  1.0
  F  F3  1  0.294  0.740  0.190  1.0
  Li  Li4  1  0.968  0.703  0.236  1.0
  Li  Li5  1  0.502  0.642  0.749  1.0
  Li  Li6  1  0.456  0.664  0.381  1.0
  Li  Li7  1  0.037  0.325  0.128  1.0
  Li  Li8  1  0.971  0.290  0.454  1.0
  Li  Li9  1  0.472  0.357  0.952  1.0
  Li  Li10  1  0.021  0.978  0.685  1.0
  Li  Li11  1  0.549  0.651  0.051  1.0
  Li  Li12  1  0.040  0.660  0.549  1.0
  Li  Li13  1  0.983  0.648  0.878  1.0
  Li  Li14  1  0.504  0.376  0.615  1.0
  Li  Li15  1  0.580  0.256  0.266  1.0
  Li  Li16  1  0.967  0.368  0.745  1.0
  Li  Li17  1  0.484  0.034  0.808  1.0
  O  O18  1  0.704  0.242  0.805  1.0
  O  O19  1  0.846  0.730  0.046  1.0
  O  O20  1  0.309  0.781  0.550  1.0
  O  O21  1  0.268  0.773  0.884  1.0
  O  O22  1  0.756  0.236  0.102  1.0
  O  O23  1  0.651  0.259  0.456  1.0
  O  O24  1  0.778  0.766  0.695  1.0
  O  O25  1  0.214  0.256  0.619  1.0
  V  V26  1  0.976  0.992  0.990  1.0
  V  V27  1  0.504  0.002  0.525  1.0
[/CIF]
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