The compound described by Li3VOF5 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(2), one F(1), one F(18), one F(4), and one F(7) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one F(19), one F(2), one F(20), one F(5), and one F(6) atom. In the third Li site, Li(3) is bonded to one O(1), one F(1), one F(2), one F(20), one F(3), and one F(5) atom to form distorted LiOF5 octahedra that share  a cornercorner with one V(4)F6 octahedra,  a cornercorner with one V(2)OF5 octahedra, corners with two equivalent Li(10)OF5 octahedra, and edges with two equivalent V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(3), one F(10), one F(4), one F(6), one F(7), and one F(9) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(4), one F(10), one F(3), one F(4), and one F(7) atom. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(3), one F(11), one F(2), one F(5), one F(6), and one F(8) atom. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(4), one F(11), one F(13), one F(14), one F(17), and one F(8) atom. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(3), one F(12), one F(15), one F(16), and one F(9) atom. In the ninth Li site, Li(9) is bonded to one O(4), one F(10), one F(12), one F(13), one F(15), and one F(9) atom to form distorted LiOF5 octahedra that share  a cornercorner with one V(4)F6 octahedra,  a cornercorner with one V(2)OF5 octahedra, and edges with two equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the tenth Li site, Li(10) is bonded to one O(1), one F(14), one F(16), one F(17), one F(19), and one F(20) atom to form distorted LiOF5 octahedra that share  a cornercorner with one V(1)O2F4 octahedra,  a cornercorner with one V(3)OF5 octahedra, corners with two equivalent Li(3)OF5 octahedra, and edges with two equivalent V(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the eleventh Li site, Li(11) is bonded in a 5-coordinate geometry to one O(1), one F(1), one F(13), one F(14), and one F(17) atom. In the twelfth Li site, Li(12) is bonded in a 5-coordinate geometry to one O(2), one F(12), one F(15), one F(18), and one F(19) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form distorted VO2F4 octahedra that share  a cornercorner with one Li(10)OF5 octahedra and edges with two equivalent Li(3)OF5 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second V site, V(2) is bonded to one O(3), one F(5), one F(6), one F(7), one F(8), and one F(9) atom to form VOF5 octahedra that share  a cornercorner with one Li(3)OF5 octahedra and  a cornercorner with one Li(9)OF5 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. In the third V site, V(3) is bonded to one O(4), one F(10), one F(11), one F(12), one F(13), and one F(14) atom to form VOF5 octahedra that share  a cornercorner with one Li(10)OF5 octahedra and edges with two equivalent Li(9)OF5 octahedra. The corner-sharing octahedral tilt angles are 52°. In the fourth V site, V(4) is bonded to one F(15), one F(16), one F(17), one F(18), one F(19), and one F(20) atom to form VF6 octahedra that share  a cornercorner with one Li(3)OF5 octahedra,  a cornercorner with one Li(9)OF5 octahedra, and edges with two equivalent Li(10)OF5 octahedra. The corner-sharing octahedral tilt angles range from 53-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(10), one Li(11), one Li(2), one Li(3), and one V(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Li(12), and one V(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(4), one Li(6), one Li(8), and one V(2) atom. In the fourth O site, O(4) is bonded to one Li(5), one Li(7), one Li(9), and one V(3) atom to form distorted OLi3V trigonal pyramids that share  a cornercorner with one F(15)Li3V trigonal pyramid,  a cornercorner with one F(17)Li3V trigonal pyramid,  a cornercorner with one F(4)Li3V trigonal pyramid,  a cornercorner with one F(7)Li3V trigonal pyramid,  an edgeedge with one F(12)Li3V trigonal pyramid, and  an edgeedge with one F(14)Li3V trigonal pyramid. There are twenty inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(11), one Li(3), and one V(1) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the second F site, F(2) is bonded to one Li(2), one Li(3), one Li(6), and one V(1) atom to form a mixture of corner and edge-sharing FLi3V trigonal pyramids. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(3), one Li(5), and one V(1) atom. In the fourth F site, F(4) is bonded to one Li(1), one Li(4), one Li(5), and one V(1) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one O(4)Li3V trigonal pyramid,  a cornercorner with one F(2)Li3V trigonal pyramid,  a cornercorner with one F(7)Li3V trigonal pyramid,  an edgeedge with one F(1)Li3V trigonal pyramid, and  an edgeedge with one F(7)Li3V trigonal pyramid. In the fifth F site, F(5) is bonded to one Li(2), one Li(3), one Li(6), and one V(2) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Li(2), one Li(4), one Li(6), and one V(2) atom. In the seventh F site, F(7) is bonded to one Li(1), one Li(4), one Li(5), and one V(2) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one O(4)Li3V trigonal pyramid,  a cornercorner with one F(1)Li3V trigonal pyramid,  a cornercorner with one F(4)Li3V trigonal pyramid,  a cornercorner with one F(5)Li3V trigonal pyramid, and  an edgeedge with one F(4)Li3V trigonal pyramid. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Li(6), one Li(7), and one V(2) atom. In the ninth F site, F(9) is bonded in a 4-coordinate geometry to one Li(4), one Li(8), one Li(9), and one V(2) atom. In the tenth F site, F(10) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Li(9), and one V(3) atom. In the eleventh F site, F(11) is bonded in a trigonal planar geometry to one Li(6), one Li(7), and one V(3) atom. In the twelfth F site, F(12) is bonded to one Li(12), one Li(8), one Li(9), and one V(3) atom to form FLi3V trigonal pyramids that share  a cornercorner with one F(14)Li3V trigonal pyramid,  a cornercorner with one F(15)Li3V trigonal pyramid,  a cornercorner with one F(19)Li3V trigonal pyramid,  an edgeedge with one O(4)Li3V trigonal pyramid, and  an edgeedge with one F(15)Li3V trigonal pyramid. In the thirteenth F site, F(13) is bonded in a 3-coordinate geometry to one Li(11), one Li(7), one Li(9), and one V(3) atom. In the fourteenth F site, F(14) is bonded to one Li(10), one Li(11), one Li(7), and one V(3) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one F(1)Li3V trigonal pyramid,  a cornercorner with one F(12)Li3V trigonal pyramid,  a cornercorner with one F(17)Li3V trigonal pyramid,  a cornercorner with one F(19)Li3V trigonal pyramid,  an edgeedge with one O(4)Li3V trigonal pyramid, and  an edgeedge with one F(17)Li3V trigonal pyramid. In the fifteenth F site, F(15) is bonded to one Li(12), one Li(8), one Li(9), and one V(4) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one O(4)Li3V trigonal pyramid,  a cornercorner with one F(12)Li3V trigonal pyramid,  a cornercorner with one F(17)Li3V trigonal pyramid,  an edgeedge with one F(12)Li3V trigonal pyramid, and  an edgeedge with one F(19)Li3V trigonal pyramid. In the sixteenth F site, F(16) is bonded in a 3-coordinate geometry to one Li(10), one Li(8), and one V(4) atom. In the seventeenth F site, F(17) is bonded to one Li(10), one Li(11), one Li(7), and one V(4) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one O(4)Li3V trigonal pyramid,  a cornercorner with one F(1)Li3V trigonal pyramid,  a cornercorner with one F(14)Li3V trigonal pyramid,  a cornercorner with one F(15)Li3V trigonal pyramid,  an edgeedge with one F(14)Li3V trigonal pyramid, and  an edgeedge with one F(19)Li3V trigonal pyramid. In the eighteenth F site, F(18) is bonded in a trigonal planar geometry to one Li(1), one Li(12), and one V(4) atom. In the nineteenth F site, F(19) is bonded to one Li(10), one Li(12), one Li(2), and one V(4) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the twentieth F site, F(20) is bonded in a 4-coordinate geometry to one Li(10), one Li(2), one Li(3), and one V(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3VOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.049
_cell_length_b   8.613
_cell_length_c   9.844
_cell_angle_alpha   90.179
_cell_angle_beta   90.168
_cell_angle_gamma   90.124
_symmetry_Int_Tables_number   1
_cell_volume   428.053
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.513  0.541  0.891  1.0
  Li  Li1  1  0.988  0.146  0.872  1.0
  Li  Li2  1  0.507  0.955  0.851  1.0
  Li  Li3  1  0.992  0.455  0.652  1.0
  Li  Li4  1  0.500  0.650  0.627  1.0
  Li  Li5  1  0.998  0.040  0.608  1.0
  Li  Li6  1  0.500  0.956  0.394  1.0
  Li  Li7  1  0.994  0.351  0.375  1.0
  Li  Li8  1  0.495  0.549  0.352  1.0
  Li  Li9  1  0.997  0.047  0.146  1.0
  Li  Li10  1  0.487  0.850  0.128  1.0
  Li  Li11  1  0.004  0.454  0.106  1.0
  V  V12  1  0.029  0.760  0.893  1.0
  V  V13  1  0.476  0.260  0.617  1.0
  V  V14  1  0.976  0.740  0.382  1.0
  V  V15  1  0.500  0.240  0.128  1.0
  O  O16  1  0.167  0.905  0.986  1.0
  O  O17  1  0.145  0.600  0.969  1.0
  O  O18  1  0.200  0.257  0.524  1.0
  O  O19  1  0.699  0.743  0.475  1.0
  F  F20  1  0.684  0.758  0.975  1.0
  F  F21  1  0.853  0.934  0.772  1.0
  F  F22  1  0.302  0.769  0.758  1.0
  F  F23  1  0.817  0.620  0.753  1.0
  F  F24  1  0.322  0.112  0.751  1.0
  F  F25  1  0.806  0.267  0.736  1.0
  F  F26  1  0.359  0.441  0.728  1.0
  F  F27  1  0.660  0.091  0.525  1.0
  F  F28  1  0.683  0.412  0.510  1.0
  F  F29  1  0.183  0.588  0.490  1.0
  F  F30  1  0.161  0.910  0.474  1.0
  F  F31  1  0.856  0.559  0.271  1.0
  F  F32  1  0.305  0.733  0.264  1.0
  F  F33  1  0.821  0.887  0.248  1.0
  F  F34  1  0.316  0.389  0.249  1.0
  F  F35  1  0.821  0.231  0.240  1.0
  F  F36  1  0.353  0.059  0.227  1.0
  F  F37  1  0.656  0.411  0.025  1.0
  F  F38  1  0.171  0.246  0.021  1.0
  F  F39  1  0.679  0.084  0.009  1.0
[/CIF]
.
The compound described by Li3VOF5 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(2), one F(1), one F(18), one F(4), and one F(7) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one F(19), one F(2), one F(20), one F(5), and one F(6) atom. In the third Li site, Li(3) is bonded to one O(1), one F(1), one F(2), one F(20), one F(3), and one F(5) atom to form distorted LiOF5 octahedra that share  a cornercorner with one V(4)F6 octahedra,  a cornercorner with one V(2)OF5 octahedra, corners with two equivalent Li(10)OF5 octahedra, and edges with two equivalent V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(3), one F(10), one F(4), one F(6), one F(7), and one F(9) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(4), one F(10), one F(3), one F(4), and one F(7) atom. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(3), one F(11), one F(2), one F(5), one F(6), and one F(8) atom. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(4), one F(11), one F(13), one F(14), one F(17), and one F(8) atom. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(3), one F(12), one F(15), one F(16), and one F(9) atom. In the ninth Li site, Li(9) is bonded to one O(4), one F(10), one F(12), one F(13), one F(15), and one F(9) atom to form distorted LiOF5 octahedra that share  a cornercorner with one V(4)F6 octahedra,  a cornercorner with one V(2)OF5 octahedra, and edges with two equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the tenth Li site, Li(10) is bonded to one O(1), one F(14), one F(16), one F(17), one F(19), and one F(20) atom to form distorted LiOF5 octahedra that share  a cornercorner with one V(1)O2F4 octahedra,  a cornercorner with one V(3)OF5 octahedra, corners with two equivalent Li(3)OF5 octahedra, and edges with two equivalent V(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the eleventh Li site, Li(11) is bonded in a 5-coordinate geometry to one O(1), one F(1), one F(13), one F(14), and one F(17) atom. In the twelfth Li site, Li(12) is bonded in a 5-coordinate geometry to one O(2), one F(12), one F(15), one F(18), and one F(19) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form distorted VO2F4 octahedra that share  a cornercorner with one Li(10)OF5 octahedra and edges with two equivalent Li(3)OF5 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second V site, V(2) is bonded to one O(3), one F(5), one F(6), one F(7), one F(8), and one F(9) atom to form VOF5 octahedra that share  a cornercorner with one Li(3)OF5 octahedra and  a cornercorner with one Li(9)OF5 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. In the third V site, V(3) is bonded to one O(4), one F(10), one F(11), one F(12), one F(13), and one F(14) atom to form VOF5 octahedra that share  a cornercorner with one Li(10)OF5 octahedra and edges with two equivalent Li(9)OF5 octahedra. The corner-sharing octahedral tilt angles are 52°. In the fourth V site, V(4) is bonded to one F(15), one F(16), one F(17), one F(18), one F(19), and one F(20) atom to form VF6 octahedra that share  a cornercorner with one Li(3)OF5 octahedra,  a cornercorner with one Li(9)OF5 octahedra, and edges with two equivalent Li(10)OF5 octahedra. The corner-sharing octahedral tilt angles range from 53-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(10), one Li(11), one Li(2), one Li(3), and one V(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Li(12), and one V(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(4), one Li(6), one Li(8), and one V(2) atom. In the fourth O site, O(4) is bonded to one Li(5), one Li(7), one Li(9), and one V(3) atom to form distorted OLi3V trigonal pyramids that share  a cornercorner with one F(15)Li3V trigonal pyramid,  a cornercorner with one F(17)Li3V trigonal pyramid,  a cornercorner with one F(4)Li3V trigonal pyramid,  a cornercorner with one F(7)Li3V trigonal pyramid,  an edgeedge with one F(12)Li3V trigonal pyramid, and  an edgeedge with one F(14)Li3V trigonal pyramid. There are twenty inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(11), one Li(3), and one V(1) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the second F site, F(2) is bonded to one Li(2), one Li(3), one Li(6), and one V(1) atom to form a mixture of corner and edge-sharing FLi3V trigonal pyramids. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(3), one Li(5), and one V(1) atom. In the fourth F site, F(4) is bonded to one Li(1), one Li(4), one Li(5), and one V(1) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one O(4)Li3V trigonal pyramid,  a cornercorner with one F(2)Li3V trigonal pyramid,  a cornercorner with one F(7)Li3V trigonal pyramid,  an edgeedge with one F(1)Li3V trigonal pyramid, and  an edgeedge with one F(7)Li3V trigonal pyramid. In the fifth F site, F(5) is bonded to one Li(2), one Li(3), one Li(6), and one V(2) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Li(2), one Li(4), one Li(6), and one V(2) atom. In the seventh F site, F(7) is bonded to one Li(1), one Li(4), one Li(5), and one V(2) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one O(4)Li3V trigonal pyramid,  a cornercorner with one F(1)Li3V trigonal pyramid,  a cornercorner with one F(4)Li3V trigonal pyramid,  a cornercorner with one F(5)Li3V trigonal pyramid, and  an edgeedge with one F(4)Li3V trigonal pyramid. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Li(6), one Li(7), and one V(2) atom. In the ninth F site, F(9) is bonded in a 4-coordinate geometry to one Li(4), one Li(8), one Li(9), and one V(2) atom. In the tenth F site, F(10) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Li(9), and one V(3) atom. In the eleventh F site, F(11) is bonded in a trigonal planar geometry to one Li(6), one Li(7), and one V(3) atom. In the twelfth F site, F(12) is bonded to one Li(12), one Li(8), one Li(9), and one V(3) atom to form FLi3V trigonal pyramids that share  a cornercorner with one F(14)Li3V trigonal pyramid,  a cornercorner with one F(15)Li3V trigonal pyramid,  a cornercorner with one F(19)Li3V trigonal pyramid,  an edgeedge with one O(4)Li3V trigonal pyramid, and  an edgeedge with one F(15)Li3V trigonal pyramid. In the thirteenth F site, F(13) is bonded in a 3-coordinate geometry to one Li(11), one Li(7), one Li(9), and one V(3) atom. In the fourteenth F site, F(14) is bonded to one Li(10), one Li(11), one Li(7), and one V(3) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one F(1)Li3V trigonal pyramid,  a cornercorner with one F(12)Li3V trigonal pyramid,  a cornercorner with one F(17)Li3V trigonal pyramid,  a cornercorner with one F(19)Li3V trigonal pyramid,  an edgeedge with one O(4)Li3V trigonal pyramid, and  an edgeedge with one F(17)Li3V trigonal pyramid. In the fifteenth F site, F(15) is bonded to one Li(12), one Li(8), one Li(9), and one V(4) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one O(4)Li3V trigonal pyramid,  a cornercorner with one F(12)Li3V trigonal pyramid,  a cornercorner with one F(17)Li3V trigonal pyramid,  an edgeedge with one F(12)Li3V trigonal pyramid, and  an edgeedge with one F(19)Li3V trigonal pyramid. In the sixteenth F site, F(16) is bonded in a 3-coordinate geometry to one Li(10), one Li(8), and one V(4) atom. In the seventeenth F site, F(17) is bonded to one Li(10), one Li(11), one Li(7), and one V(4) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one O(4)Li3V trigonal pyramid,  a cornercorner with one F(1)Li3V trigonal pyramid,  a cornercorner with one F(14)Li3V trigonal pyramid,  a cornercorner with one F(15)Li3V trigonal pyramid,  an edgeedge with one F(14)Li3V trigonal pyramid, and  an edgeedge with one F(19)Li3V trigonal pyramid. In the eighteenth F site, F(18) is bonded in a trigonal planar geometry to one Li(1), one Li(12), and one V(4) atom. In the nineteenth F site, F(19) is bonded to one Li(10), one Li(12), one Li(2), and one V(4) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the twentieth F site, F(20) is bonded in a 4-coordinate geometry to one Li(10), one Li(2), one Li(3), and one V(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3VOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.049
_cell_length_b   8.613
_cell_length_c   9.844
_cell_angle_alpha   90.179
_cell_angle_beta   90.168
_cell_angle_gamma   90.124
_symmetry_Int_Tables_number   1
_cell_volume   428.053
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.513  0.541  0.891  1.0
  Li  Li1  1  0.988  0.146  0.872  1.0
  Li  Li2  1  0.507  0.955  0.851  1.0
  Li  Li3  1  0.992  0.455  0.652  1.0
  Li  Li4  1  0.500  0.650  0.627  1.0
  Li  Li5  1  0.998  0.040  0.608  1.0
  Li  Li6  1  0.500  0.956  0.394  1.0
  Li  Li7  1  0.994  0.351  0.375  1.0
  Li  Li8  1  0.495  0.549  0.352  1.0
  Li  Li9  1  0.997  0.047  0.146  1.0
  Li  Li10  1  0.487  0.850  0.128  1.0
  Li  Li11  1  0.004  0.454  0.106  1.0
  V  V12  1  0.029  0.760  0.893  1.0
  V  V13  1  0.476  0.260  0.617  1.0
  V  V14  1  0.976  0.740  0.382  1.0
  V  V15  1  0.500  0.240  0.128  1.0
  O  O16  1  0.167  0.905  0.986  1.0
  O  O17  1  0.145  0.600  0.969  1.0
  O  O18  1  0.200  0.257  0.524  1.0
  O  O19  1  0.699  0.743  0.475  1.0
  F  F20  1  0.684  0.758  0.975  1.0
  F  F21  1  0.853  0.934  0.772  1.0
  F  F22  1  0.302  0.769  0.758  1.0
  F  F23  1  0.817  0.620  0.753  1.0
  F  F24  1  0.322  0.112  0.751  1.0
  F  F25  1  0.806  0.267  0.736  1.0
  F  F26  1  0.359  0.441  0.728  1.0
  F  F27  1  0.660  0.091  0.525  1.0
  F  F28  1  0.683  0.412  0.510  1.0
  F  F29  1  0.183  0.588  0.490  1.0
  F  F30  1  0.161  0.910  0.474  1.0
  F  F31  1  0.856  0.559  0.271  1.0
  F  F32  1  0.305  0.733  0.264  1.0
  F  F33  1  0.821  0.887  0.248  1.0
  F  F34  1  0.316  0.389  0.249  1.0
  F  F35  1  0.821  0.231  0.240  1.0
  F  F36  1  0.353  0.059  0.227  1.0
  F  F37  1  0.656  0.411  0.025  1.0
  F  F38  1  0.171  0.246  0.021  1.0
  F  F39  1  0.679  0.084  0.009  1.0
[/CIF]
.