The crystal structure described by Li11V6O5F19 crystallizes in the triclinic P1 space group. There are eleven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(3), one F(1), one F(17), one F(2), one F(3), and one F(8) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one F(15), one F(5), one F(7), and one F(9) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one F(16), one F(2), one F(5), and one F(7) atom. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(2), one O(5), one F(18), one F(4), and one F(6) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(1), one O(4), one F(14), one F(19), one F(4), and one F(6) atom. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(2), one O(5), one F(10), one F(13), one F(3), and one F(8) atom. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(3), one F(1), one F(11), one F(13), 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(2), one F(12), one F(14), one F(18), and one F(6) atom. In the ninth Li site, Li(9) is bonded to one O(1), one F(15), one F(16), and one F(7) atom to form distorted LiOF3 tetrahedra that share  a cornercorner with one V(4)OF5 octahedra, corners with two equivalent V(1)O2F4 octahedra, and corners with two equivalent V(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 33-82°. In the tenth Li site, Li(10) is bonded in a 6-coordinate geometry to one O(4), one F(12), one F(14), one F(19), one F(4), and one F(9) atom. In the eleventh Li site, Li(11) is bonded in a 5-coordinate geometry to one O(5), one F(10), one F(13), one F(17), and one F(3) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), one F(15), one F(19), one F(4), and one F(9) atom to form VO2F4 octahedra that share corners with four equivalent V(5)O2F4 octahedra and corners with two equivalent Li(9)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 40-47°. In the second V site, V(2) is bonded to one O(3), one F(1), one F(11), one F(2), one F(5), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 39-49°. In the third V site, V(3) is bonded to one O(2), one O(5), one F(10), one F(18), one F(3), and one F(6) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. In the fourth V site, V(4) is bonded to one O(3), one F(1), one F(11), one F(16), one F(17), and one F(2) atom to form VOF5 octahedra that share corners with four equivalent V(2)OF5 octahedra and  a cornercorner with one Li(9)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 39-49°. In the fifth V site, V(5) is bonded to one O(1), one O(4), one F(14), one F(19), one F(7), and one F(9) atom to form VO2F4 octahedra that share corners with four equivalent V(1)O2F4 octahedra and corners with two equivalent Li(9)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 40-47°. In the sixth V site, V(6) is bonded to one O(2), one O(5), one F(10), one F(12), one F(13), and one F(18) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(2), one Li(5), one Li(9), one V(1), and one V(5) atom. In the second O site, O(2) is bonded to one Li(4), one Li(6), one Li(8), one V(3), and one V(6) atom to form distorted OLi3V2 trigonal bipyramids that share  a cornercorner with one F(10)Li2V2 trigonal pyramid,  a cornercorner with one F(14)Li3V trigonal pyramid,  a cornercorner with one F(4)Li3V trigonal pyramid,  a cornercorner with one F(6)Li3V trigonal pyramid,  a cornercorner with one F(8)Li3V trigonal pyramid,  an edgeedge with one F(10)Li2V2 trigonal pyramid,  an edgeedge with one F(3)Li3V trigonal pyramid, and  an edgeedge with one F(6)Li3V trigonal pyramid. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(7), one V(2), and one V(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(10), one Li(5), one V(1), and one V(5) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(11), one Li(4), one Li(6), one V(3), and one V(6) atom. There are nineteen inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(7), one V(2), and one V(4) atom. In the second F site, F(2) is bonded to one Li(1), one Li(3), one V(2), and one V(4) atom to form a mixture of distorted edge and corner-sharing FLi2V2 tetrahedra. In the third F site, F(3) is bonded to one Li(1), one Li(11), one Li(6), and one V(3) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one F(2)Li2V2 tetrahedra,  a cornercorner with one F(6)Li3V trigonal pyramid, corners with two equivalent F(8)Li3V trigonal pyramids, corners with three equivalent F(10)Li2V2 trigonal pyramids,  an edgeedge with one O(2)Li3V2 trigonal bipyramid, and  an edgeedge with one F(17)Li3V trigonal pyramid. In the fourth F site, F(4) is bonded to one Li(10), one Li(4), one Li(5), and one V(1) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one O(2)Li3V2 trigonal bipyramid, corners with two equivalent F(14)Li3V trigonal pyramids, and corners with two equivalent F(6)Li3V trigonal pyramids. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one V(2) atom. In the sixth F site, F(6) is bonded to one Li(4), one Li(5), one Li(8), and one V(3) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one O(2)Li3V2 trigonal bipyramid,  a cornercorner with one F(10)Li2V2 trigonal pyramid,  a cornercorner with one F(3)Li3V trigonal pyramid, corners with two equivalent F(4)Li3V trigonal pyramids,  an edgeedge with one O(2)Li3V2 trigonal bipyramid, and  an edgeedge with one F(14)Li3V trigonal pyramid. In the seventh F site, F(7) is bonded to one Li(2), one Li(3), one Li(9), and one V(5) atom to form distorted FLi3V tetrahedra that share  a cornercorner with one F(2)Li2V2 tetrahedra and  a cornercorner with one F(14)Li3V trigonal pyramid. In the eighth F site, F(8) is bonded to one Li(1), one Li(6), one Li(7), and one V(2) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one O(2)Li3V2 trigonal bipyramid,  a cornercorner with one F(10)Li2V2 trigonal pyramid, corners with two equivalent F(17)Li3V trigonal pyramids, corners with two equivalent F(3)Li3V trigonal pyramids, and  an edgeedge with one F(2)Li2V2 tetrahedra. In the ninth F site, F(9) is bonded in a 4-coordinate geometry to one Li(10), one Li(2), one V(1), and one V(5) atom. In the tenth F site, F(10) is bonded to one Li(11), one Li(6), one V(3), and one V(6) atom to form distorted FLi2V2 trigonal pyramids that share  a cornercorner with one O(2)Li3V2 trigonal bipyramid,  a cornercorner with one F(17)Li3V trigonal pyramid,  a cornercorner with one F(6)Li3V trigonal pyramid,  a cornercorner with one F(8)Li3V trigonal pyramid, corners with three equivalent F(3)Li3V trigonal pyramids, and  an edgeedge with one O(2)Li3V2 trigonal bipyramid. In the eleventh F site, F(11) is bonded in a 2-coordinate geometry to one Li(7), one V(2), and one V(4) atom. In the twelfth F site, F(12) is bonded in a 3-coordinate geometry to one Li(10), one Li(8), and one V(6) atom. In the thirteenth F site, F(13) is bonded in a 4-coordinate geometry to one Li(11), one Li(6), one Li(7), and one V(6) atom. In the fourteenth F site, F(14) is bonded to one Li(10), one Li(5), one Li(8), and one V(5) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one F(7)Li3V tetrahedra,  a cornercorner with one O(2)Li3V2 trigonal bipyramid, corners with two equivalent F(4)Li3V trigonal pyramids, and  an edgeedge with one F(6)Li3V trigonal pyramid. In the fifteenth F site, F(15) is bonded in a distorted T-shaped geometry to one Li(2), one Li(9), and one V(1) atom. In the sixteenth F site, F(16) is bonded in a distorted T-shaped geometry to one Li(3), one Li(9), and one V(4) atom. In the seventeenth F site, F(17) is bonded to one Li(1), one Li(11), one Li(7), and one V(4) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one F(10)Li2V2 trigonal pyramid, corners with two equivalent F(8)Li3V trigonal pyramids,  an edgeedge with one F(2)Li2V2 tetrahedra, and  an edgeedge with one F(3)Li3V trigonal pyramid. In the eighteenth F site, F(18) is bonded in a 4-coordinate geometry to one Li(4), one Li(8), one V(3), and one V(6) atom. In the nineteenth F site, F(19) is bonded in a 4-coordinate geometry to one Li(10), one Li(5), one V(1), and one V(5) atom. is represented by the CIF file [CIF]
data_Li11V6O5F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.163
_cell_length_b   5.439
_cell_length_c   16.275
_cell_angle_alpha   99.305
_cell_angle_beta   90.401
_cell_angle_gamma   90.692
_symmetry_Int_Tables_number   1
_cell_volume   450.956
_cell_formula_units_Z   1
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  0.484  0.243  0.559  1.0
  Li  Li1  1  0.008  0.367  0.889  1.0
  Li  Li2  1  0.508  0.408  0.782  1.0
  Li  Li3  1  0.000  0.102  0.230  1.0
  Li  Li4  1  0.508  0.106  0.105  1.0
  Li  Li5  1  0.996  0.247  0.429  1.0
  Li  Li6  1  0.011  0.717  0.557  1.0
  Li  Li7  1  0.498  0.547  0.223  1.0
  Li  Li8  1  0.475  0.905  0.891  1.0
  Li  Li9  1  0.999  0.604  0.107  1.0
  Li  Li10  1  0.499  0.794  0.442  1.0
  V  V11  1  0.994  0.029  0.004  1.0
  V  V12  1  0.984  0.348  0.665  1.0
  V  V13  1  0.502  0.167  0.334  1.0
  V  V14  1  0.519  0.820  0.666  1.0
  V  V15  1  0.496  0.466  0.002  1.0
  V  V16  1  0.003  0.668  0.334  1.0
  O  O17  1  0.679  0.169  0.967  1.0
  O  O18  1  0.810  0.352  0.310  1.0
  O  O19  1  0.689  0.512  0.630  1.0
  O  O20  1  0.189  0.322  0.042  1.0
  O  O21  1  0.201  0.978  0.364  1.0
  F  F22  1  0.827  0.002  0.624  1.0
  F  F23  1  0.329  0.176  0.692  1.0
  F  F24  1  0.639  0.154  0.452  1.0
  F  F25  1  0.861  0.984  0.120  1.0
  F  F26  1  0.865  0.350  0.779  1.0
  F  F27  1  0.365  0.183  0.219  1.0
  F  F28  1  0.361  0.513  0.886  1.0
  F  F29  1  0.131  0.347  0.548  1.0
  F  F30  1  0.823  0.669  0.970  1.0
  F  F31  1  0.316  0.495  0.381  1.0
  F  F32  1  0.186  0.664  0.696  1.0
  F  F33  1  0.141  0.647  0.219  1.0
  F  F34  1  0.859  0.691  0.451  1.0
  F  F35  1  0.649  0.484  0.119  1.0
  F  F36  1  0.137  0.027  0.890  1.0
  F  F37  1  0.601  0.854  0.781  1.0
  F  F38  1  0.365  0.851  0.554  1.0
  F  F39  1  0.684  0.836  0.291  1.0
  F  F40  1  0.316  0.817  0.038  1.0
[/CIF]
.
The crystal structure described by Li11V6O5F19 crystallizes in the triclinic P1 space group. There are eleven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(3), one F(1), one F(17), one F(2), one F(3), and one F(8) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one F(15), one F(5), one F(7), and one F(9) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one F(16), one F(2), one F(5), and one F(7) atom. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(2), one O(5), one F(18), one F(4), and one F(6) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(1), one O(4), one F(14), one F(19), one F(4), and one F(6) atom. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(2), one O(5), one F(10), one F(13), one F(3), and one F(8) atom. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(3), one F(1), one F(11), one F(13), 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(2), one F(12), one F(14), one F(18), and one F(6) atom. In the ninth Li site, Li(9) is bonded to one O(1), one F(15), one F(16), and one F(7) atom to form distorted LiOF3 tetrahedra that share  a cornercorner with one V(4)OF5 octahedra, corners with two equivalent V(1)O2F4 octahedra, and corners with two equivalent V(5)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 33-82°. In the tenth Li site, Li(10) is bonded in a 6-coordinate geometry to one O(4), one F(12), one F(14), one F(19), one F(4), and one F(9) atom. In the eleventh Li site, Li(11) is bonded in a 5-coordinate geometry to one O(5), one F(10), one F(13), one F(17), and one F(3) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), one F(15), one F(19), one F(4), and one F(9) atom to form VO2F4 octahedra that share corners with four equivalent V(5)O2F4 octahedra and corners with two equivalent Li(9)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 40-47°. In the second V site, V(2) is bonded to one O(3), one F(1), one F(11), one F(2), one F(5), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 39-49°. In the third V site, V(3) is bonded to one O(2), one O(5), one F(10), one F(18), one F(3), and one F(6) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. In the fourth V site, V(4) is bonded to one O(3), one F(1), one F(11), one F(16), one F(17), and one F(2) atom to form VOF5 octahedra that share corners with four equivalent V(2)OF5 octahedra and  a cornercorner with one Li(9)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 39-49°. In the fifth V site, V(5) is bonded to one O(1), one O(4), one F(14), one F(19), one F(7), and one F(9) atom to form VO2F4 octahedra that share corners with four equivalent V(1)O2F4 octahedra and corners with two equivalent Li(9)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 40-47°. In the sixth V site, V(6) is bonded to one O(2), one O(5), one F(10), one F(12), one F(13), and one F(18) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(2), one Li(5), one Li(9), one V(1), and one V(5) atom. In the second O site, O(2) is bonded to one Li(4), one Li(6), one Li(8), one V(3), and one V(6) atom to form distorted OLi3V2 trigonal bipyramids that share  a cornercorner with one F(10)Li2V2 trigonal pyramid,  a cornercorner with one F(14)Li3V trigonal pyramid,  a cornercorner with one F(4)Li3V trigonal pyramid,  a cornercorner with one F(6)Li3V trigonal pyramid,  a cornercorner with one F(8)Li3V trigonal pyramid,  an edgeedge with one F(10)Li2V2 trigonal pyramid,  an edgeedge with one F(3)Li3V trigonal pyramid, and  an edgeedge with one F(6)Li3V trigonal pyramid. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(7), one V(2), and one V(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(10), one Li(5), one V(1), and one V(5) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(11), one Li(4), one Li(6), one V(3), and one V(6) atom. There are nineteen inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(7), one V(2), and one V(4) atom. In the second F site, F(2) is bonded to one Li(1), one Li(3), one V(2), and one V(4) atom to form a mixture of distorted edge and corner-sharing FLi2V2 tetrahedra. In the third F site, F(3) is bonded to one Li(1), one Li(11), one Li(6), and one V(3) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one F(2)Li2V2 tetrahedra,  a cornercorner with one F(6)Li3V trigonal pyramid, corners with two equivalent F(8)Li3V trigonal pyramids, corners with three equivalent F(10)Li2V2 trigonal pyramids,  an edgeedge with one O(2)Li3V2 trigonal bipyramid, and  an edgeedge with one F(17)Li3V trigonal pyramid. In the fourth F site, F(4) is bonded to one Li(10), one Li(4), one Li(5), and one V(1) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one O(2)Li3V2 trigonal bipyramid, corners with two equivalent F(14)Li3V trigonal pyramids, and corners with two equivalent F(6)Li3V trigonal pyramids. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one V(2) atom. In the sixth F site, F(6) is bonded to one Li(4), one Li(5), one Li(8), and one V(3) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one O(2)Li3V2 trigonal bipyramid,  a cornercorner with one F(10)Li2V2 trigonal pyramid,  a cornercorner with one F(3)Li3V trigonal pyramid, corners with two equivalent F(4)Li3V trigonal pyramids,  an edgeedge with one O(2)Li3V2 trigonal bipyramid, and  an edgeedge with one F(14)Li3V trigonal pyramid. In the seventh F site, F(7) is bonded to one Li(2), one Li(3), one Li(9), and one V(5) atom to form distorted FLi3V tetrahedra that share  a cornercorner with one F(2)Li2V2 tetrahedra and  a cornercorner with one F(14)Li3V trigonal pyramid. In the eighth F site, F(8) is bonded to one Li(1), one Li(6), one Li(7), and one V(2) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one O(2)Li3V2 trigonal bipyramid,  a cornercorner with one F(10)Li2V2 trigonal pyramid, corners with two equivalent F(17)Li3V trigonal pyramids, corners with two equivalent F(3)Li3V trigonal pyramids, and  an edgeedge with one F(2)Li2V2 tetrahedra. In the ninth F site, F(9) is bonded in a 4-coordinate geometry to one Li(10), one Li(2), one V(1), and one V(5) atom. In the tenth F site, F(10) is bonded to one Li(11), one Li(6), one V(3), and one V(6) atom to form distorted FLi2V2 trigonal pyramids that share  a cornercorner with one O(2)Li3V2 trigonal bipyramid,  a cornercorner with one F(17)Li3V trigonal pyramid,  a cornercorner with one F(6)Li3V trigonal pyramid,  a cornercorner with one F(8)Li3V trigonal pyramid, corners with three equivalent F(3)Li3V trigonal pyramids, and  an edgeedge with one O(2)Li3V2 trigonal bipyramid. In the eleventh F site, F(11) is bonded in a 2-coordinate geometry to one Li(7), one V(2), and one V(4) atom. In the twelfth F site, F(12) is bonded in a 3-coordinate geometry to one Li(10), one Li(8), and one V(6) atom. In the thirteenth F site, F(13) is bonded in a 4-coordinate geometry to one Li(11), one Li(6), one Li(7), and one V(6) atom. In the fourteenth F site, F(14) is bonded to one Li(10), one Li(5), one Li(8), and one V(5) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one F(7)Li3V tetrahedra,  a cornercorner with one O(2)Li3V2 trigonal bipyramid, corners with two equivalent F(4)Li3V trigonal pyramids, and  an edgeedge with one F(6)Li3V trigonal pyramid. In the fifteenth F site, F(15) is bonded in a distorted T-shaped geometry to one Li(2), one Li(9), and one V(1) atom. In the sixteenth F site, F(16) is bonded in a distorted T-shaped geometry to one Li(3), one Li(9), and one V(4) atom. In the seventeenth F site, F(17) is bonded to one Li(1), one Li(11), one Li(7), and one V(4) atom to form distorted FLi3V trigonal pyramids that share  a cornercorner with one F(10)Li2V2 trigonal pyramid, corners with two equivalent F(8)Li3V trigonal pyramids,  an edgeedge with one F(2)Li2V2 tetrahedra, and  an edgeedge with one F(3)Li3V trigonal pyramid. In the eighteenth F site, F(18) is bonded in a 4-coordinate geometry to one Li(4), one Li(8), one V(3), and one V(6) atom. In the nineteenth F site, F(19) is bonded in a 4-coordinate geometry to one Li(10), one Li(5), one V(1), and one V(5) atom. is represented by the CIF file [CIF]
data_Li11V6O5F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.163
_cell_length_b   5.439
_cell_length_c   16.275
_cell_angle_alpha   99.305
_cell_angle_beta   90.401
_cell_angle_gamma   90.692
_symmetry_Int_Tables_number   1
_cell_volume   450.956
_cell_formula_units_Z   1
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  0.484  0.243  0.559  1.0
  Li  Li1  1  0.008  0.367  0.889  1.0
  Li  Li2  1  0.508  0.408  0.782  1.0
  Li  Li3  1  0.000  0.102  0.230  1.0
  Li  Li4  1  0.508  0.106  0.105  1.0
  Li  Li5  1  0.996  0.247  0.429  1.0
  Li  Li6  1  0.011  0.717  0.557  1.0
  Li  Li7  1  0.498  0.547  0.223  1.0
  Li  Li8  1  0.475  0.905  0.891  1.0
  Li  Li9  1  0.999  0.604  0.107  1.0
  Li  Li10  1  0.499  0.794  0.442  1.0
  V  V11  1  0.994  0.029  0.004  1.0
  V  V12  1  0.984  0.348  0.665  1.0
  V  V13  1  0.502  0.167  0.334  1.0
  V  V14  1  0.519  0.820  0.666  1.0
  V  V15  1  0.496  0.466  0.002  1.0
  V  V16  1  0.003  0.668  0.334  1.0
  O  O17  1  0.679  0.169  0.967  1.0
  O  O18  1  0.810  0.352  0.310  1.0
  O  O19  1  0.689  0.512  0.630  1.0
  O  O20  1  0.189  0.322  0.042  1.0
  O  O21  1  0.201  0.978  0.364  1.0
  F  F22  1  0.827  0.002  0.624  1.0
  F  F23  1  0.329  0.176  0.692  1.0
  F  F24  1  0.639  0.154  0.452  1.0
  F  F25  1  0.861  0.984  0.120  1.0
  F  F26  1  0.865  0.350  0.779  1.0
  F  F27  1  0.365  0.183  0.219  1.0
  F  F28  1  0.361  0.513  0.886  1.0
  F  F29  1  0.131  0.347  0.548  1.0
  F  F30  1  0.823  0.669  0.970  1.0
  F  F31  1  0.316  0.495  0.381  1.0
  F  F32  1  0.186  0.664  0.696  1.0
  F  F33  1  0.141  0.647  0.219  1.0
  F  F34  1  0.859  0.691  0.451  1.0
  F  F35  1  0.649  0.484  0.119  1.0
  F  F36  1  0.137  0.027  0.890  1.0
  F  F37  1  0.601  0.854  0.781  1.0
  F  F38  1  0.365  0.851  0.554  1.0
  F  F39  1  0.684  0.836  0.291  1.0
  F  F40  1  0.316  0.817  0.038  1.0
[/CIF]
.