The 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 distorted see-saw-like geometry to one F(16), one F(2), one F(6), and one F(8) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one F(17), one F(2), one F(3), and one F(7) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one F(15), one F(18), one F(4), one F(5), and one F(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(3), one O(4), one F(1), one F(13), one F(6), and one F(8) atom. In the fifth Li site, Li(5) is bonded to one F(12), one F(19), one F(4), and one F(5) atom to form distorted LiF4 tetrahedra that share  a cornercorner with one V(2)OF5 octahedra, corners with two equivalent V(3)O2F4 octahedra, and corners with two equivalent V(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-80°. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(5), one F(10), one F(14), one F(3), one F(7), and one F(9) atom. In the seventh Li site, Li(7) is bonded to one F(11), one F(13), one F(16), and one F(8) atom to form distorted LiF4 tetrahedra that share  a cornercorner with one V(3)O2F4 octahedra, corners with two equivalent V(5)O2F4 octahedra, and  an edgeedge with one V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-72°. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(1), one O(2), one F(14), one F(17), and one F(7) atom. In the ninth Li site, Li(9) is bonded in a 5-coordinate geometry to one O(3), one F(1), one F(13), one F(16), and one F(6) atom. In the tenth Li site, Li(10) is bonded in a 3-coordinate geometry to one O(4), one F(12), one F(15), and one F(19) atom. In the eleventh Li site, Li(11) is bonded in a 4-coordinate geometry to one F(10), one F(14), one F(17), one F(18), 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(2), one F(11), one F(2), one F(7), and one F(8) atom to form VO2F4 octahedra that share corners with four equivalent V(5)O2F4 octahedra and  an edgeedge with one Li(7)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-45°. In the second V site, V(2) is bonded to one O(5), one F(10), one F(18), one F(3), one F(5), and one F(9) atom to form VOF5 octahedra that share corners with four equivalent V(6)OF5 octahedra and  a cornercorner with one Li(5)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-46°. In the third V site, V(3) is bonded to one O(3), one O(4), one F(1), one F(13), one F(19), and one F(4) atom to form VO2F4 octahedra that share corners with four equivalent V(4)O2F4 octahedra,  a cornercorner with one Li(7)F4 tetrahedra, and corners with two equivalent Li(5)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-51°. In the fourth V site, V(4) is bonded to one O(3), one O(4), one F(1), one F(12), one F(19), and one F(6) atom to form VO2F4 octahedra that share corners with four equivalent V(3)O2F4 octahedra and corners with two equivalent Li(5)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-51°. In the fifth V site, V(5) is bonded to one O(1), one O(2), one F(11), one F(16), one F(17), and one F(2) atom to form VO2F4 octahedra that share corners with four equivalent V(1)O2F4 octahedra and corners with two equivalent Li(7)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-45°. In the sixth V site, V(6) is bonded to one O(5), one F(10), one F(14), one F(15), one F(18), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 39-46°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(8), one V(1), and one V(5) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(8), one V(1), and one V(5) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(4), one Li(9), one V(3), 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(4), one V(3), and one V(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(6), one V(2), and one V(6) atom. There are nineteen inequivalent F sites. In the first F site, F(1) is bonded to one Li(4), one Li(9), one V(3), and one V(4) atom to form a mixture of distorted corner and edge-sharing FLi2V2 trigonal pyramids. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one V(5) atom. In the third F site, F(3) is bonded to one Li(11), one Li(2), one Li(6), and one V(2) atom to form a mixture of distorted corner and edge-sharing FLi3V tetrahedra. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(3), one Li(5), and one V(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(5), and one V(2) atom. In the sixth F site, F(6) is bonded to one Li(1), one Li(4), one Li(9), and one V(4) atom to form FLi3V tetrahedra that share corners with two equivalent F(13)Li3V tetrahedra, corners with two equivalent F(16)Li3V trigonal pyramids, corners with two equivalent F(8)Li3V trigonal pyramids, and corners with three equivalent F(1)Li2V2 trigonal pyramids. In the seventh F site, F(7) is bonded to one Li(2), one Li(6), one Li(8), and one V(1) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the eighth F site, F(8) is bonded to one Li(1), one Li(4), one Li(7), and one V(1) atom to form distorted FLi3V trigonal pyramids that share corners with two equivalent F(13)Li3V tetrahedra, corners with two equivalent F(6)Li3V tetrahedra,  a cornercorner with one F(1)Li2V2 trigonal pyramid,  a cornercorner with one F(7)Li3V trigonal pyramid, and corners with two equivalent F(16)Li3V trigonal pyramids. In the ninth F site, F(9) is bonded in a 3-coordinate geometry to one Li(3), one Li(6), one V(2), and one V(6) atom. In the tenth F site, F(10) is bonded in a 4-coordinate geometry to one Li(11), one Li(6), one V(2), and one V(6) atom. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Li(7), one V(1), and one V(5) atom. In the twelfth F site, F(12) is bonded in a trigonal non-coplanar geometry to one Li(10), one Li(5), and one V(4) atom. In the thirteenth F site, F(13) is bonded to one Li(4), one Li(7), one Li(9), and one V(3) atom to form distorted FLi3V tetrahedra that share corners with two equivalent F(6)Li3V tetrahedra,  a cornercorner with one F(1)Li2V2 trigonal pyramid, corners with two equivalent F(16)Li3V trigonal pyramids, corners with two equivalent F(8)Li3V trigonal pyramids, and  an edgeedge with one F(1)Li2V2 trigonal pyramid. In the fourteenth F site, F(14) is bonded to one Li(11), one Li(6), one Li(8), and one V(6) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the fifteenth F site, F(15) is bonded in a T-shaped geometry to one Li(10), one Li(3), and one V(6) atom. In the sixteenth F site, F(16) is bonded to one Li(1), one Li(7), one Li(9), and one V(5) atom to form distorted FLi3V trigonal pyramids that share corners with two equivalent F(13)Li3V tetrahedra, corners with two equivalent F(6)Li3V tetrahedra,  a cornercorner with one F(1)Li2V2 trigonal pyramid,  a cornercorner with one F(17)Li3V trigonal pyramid, and corners with two equivalent F(8)Li3V trigonal pyramids. In the seventeenth F site, F(17) is bonded to one Li(11), one Li(2), one Li(8), and one V(5) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the eighteenth F site, F(18) is bonded in a 4-coordinate geometry to one Li(11), one Li(3), one V(2), 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(3), and one V(4) atom. is represented by the CIF card [CIF]
data_Li11V6O5F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.147
_cell_length_b   5.453
_cell_length_c   16.307
_cell_angle_alpha   80.389
_cell_angle_beta   89.707
_cell_angle_gamma   88.427
_symmetry_Int_Tables_number   1
_cell_volume   451.037
_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  0.529  0.527  0.204  1.0
  Li  Li1  1  0.513  0.330  0.435  1.0
  Li  Li2  1  0.006  0.176  0.778  1.0
  Li  Li3  1  0.006  0.500  0.095  1.0
  Li  Li4  1  0.508  0.974  0.883  1.0
  Li  Li5  1  1.000  0.182  0.555  1.0
  Li  Li6  1  0.976  0.027  0.205  1.0
  Li  Li7  1  0.991  0.826  0.437  1.0
  Li  Li8  1  0.510  0.032  0.110  1.0
  Li  Li9  1  0.000  0.531  0.897  1.0
  Li  Li10  1  0.518  0.664  0.555  1.0
  V  V11  1  0.982  0.330  0.338  1.0
  V  V12  1  0.486  0.177  0.665  1.0
  V  V13  1  0.001  0.993  0.002  1.0
  V  V14  1  0.502  0.493  0.002  1.0
  V  V15  1  0.531  0.833  0.339  1.0
  V  V16  1  0.014  0.653  0.667  1.0
  O  O17  1  0.801  0.593  0.376  1.0
  O  O18  1  0.713  0.096  0.373  1.0
  O  O19  1  0.799  0.268  0.035  1.0
  O  O20  1  0.187  0.697  0.978  1.0
  O  O21  1  0.187  0.378  0.632  1.0
  F  F22  1  0.693  0.767  0.052  1.0
  F  F23  1  0.317  0.535  0.301  1.0
  F  F24  1  0.642  0.297  0.551  1.0
  F  F25  1  0.862  0.093  0.885  1.0
  F  F26  1  0.356  0.057  0.778  1.0
  F  F27  1  0.363  0.372  0.120  1.0
  F  F28  1  0.157  0.213  0.451  1.0
  F  F29  1  0.872  0.382  0.212  1.0
  F  F30  1  0.831  0.976  0.697  1.0
  F  F31  1  0.326  0.877  0.626  1.0
  F  F32  1  0.196  0.035  0.299  1.0
  F  F33  1  0.645  0.632  0.893  1.0
  F  F34  1  0.154  0.903  0.119  1.0
  F  F35  1  0.867  0.798  0.556  1.0
  F  F36  1  0.095  0.539  0.783  1.0
  F  F37  1  0.644  0.879  0.215  1.0
  F  F38  1  0.353  0.716  0.451  1.0
  F  F39  1  0.685  0.458  0.697  1.0
  F  F40  1  0.317  0.203  0.957  1.0
[/CIF]
.
The 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 distorted see-saw-like geometry to one F(16), one F(2), one F(6), and one F(8) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one F(17), one F(2), one F(3), and one F(7) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one F(15), one F(18), one F(4), one F(5), and one F(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(3), one O(4), one F(1), one F(13), one F(6), and one F(8) atom. In the fifth Li site, Li(5) is bonded to one F(12), one F(19), one F(4), and one F(5) atom to form distorted LiF4 tetrahedra that share  a cornercorner with one V(2)OF5 octahedra, corners with two equivalent V(3)O2F4 octahedra, and corners with two equivalent V(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-80°. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(5), one F(10), one F(14), one F(3), one F(7), and one F(9) atom. In the seventh Li site, Li(7) is bonded to one F(11), one F(13), one F(16), and one F(8) atom to form distorted LiF4 tetrahedra that share  a cornercorner with one V(3)O2F4 octahedra, corners with two equivalent V(5)O2F4 octahedra, and  an edgeedge with one V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-72°. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(1), one O(2), one F(14), one F(17), and one F(7) atom. In the ninth Li site, Li(9) is bonded in a 5-coordinate geometry to one O(3), one F(1), one F(13), one F(16), and one F(6) atom. In the tenth Li site, Li(10) is bonded in a 3-coordinate geometry to one O(4), one F(12), one F(15), and one F(19) atom. In the eleventh Li site, Li(11) is bonded in a 4-coordinate geometry to one F(10), one F(14), one F(17), one F(18), 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(2), one F(11), one F(2), one F(7), and one F(8) atom to form VO2F4 octahedra that share corners with four equivalent V(5)O2F4 octahedra and  an edgeedge with one Li(7)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-45°. In the second V site, V(2) is bonded to one O(5), one F(10), one F(18), one F(3), one F(5), and one F(9) atom to form VOF5 octahedra that share corners with four equivalent V(6)OF5 octahedra and  a cornercorner with one Li(5)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-46°. In the third V site, V(3) is bonded to one O(3), one O(4), one F(1), one F(13), one F(19), and one F(4) atom to form VO2F4 octahedra that share corners with four equivalent V(4)O2F4 octahedra,  a cornercorner with one Li(7)F4 tetrahedra, and corners with two equivalent Li(5)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-51°. In the fourth V site, V(4) is bonded to one O(3), one O(4), one F(1), one F(12), one F(19), and one F(6) atom to form VO2F4 octahedra that share corners with four equivalent V(3)O2F4 octahedra and corners with two equivalent Li(5)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-51°. In the fifth V site, V(5) is bonded to one O(1), one O(2), one F(11), one F(16), one F(17), and one F(2) atom to form VO2F4 octahedra that share corners with four equivalent V(1)O2F4 octahedra and corners with two equivalent Li(7)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-45°. In the sixth V site, V(6) is bonded to one O(5), one F(10), one F(14), one F(15), one F(18), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 39-46°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(8), one V(1), and one V(5) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(8), one V(1), and one V(5) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(4), one Li(9), one V(3), 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(4), one V(3), and one V(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(6), one V(2), and one V(6) atom. There are nineteen inequivalent F sites. In the first F site, F(1) is bonded to one Li(4), one Li(9), one V(3), and one V(4) atom to form a mixture of distorted corner and edge-sharing FLi2V2 trigonal pyramids. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one V(5) atom. In the third F site, F(3) is bonded to one Li(11), one Li(2), one Li(6), and one V(2) atom to form a mixture of distorted corner and edge-sharing FLi3V tetrahedra. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(3), one Li(5), and one V(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(5), and one V(2) atom. In the sixth F site, F(6) is bonded to one Li(1), one Li(4), one Li(9), and one V(4) atom to form FLi3V tetrahedra that share corners with two equivalent F(13)Li3V tetrahedra, corners with two equivalent F(16)Li3V trigonal pyramids, corners with two equivalent F(8)Li3V trigonal pyramids, and corners with three equivalent F(1)Li2V2 trigonal pyramids. In the seventh F site, F(7) is bonded to one Li(2), one Li(6), one Li(8), and one V(1) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the eighth F site, F(8) is bonded to one Li(1), one Li(4), one Li(7), and one V(1) atom to form distorted FLi3V trigonal pyramids that share corners with two equivalent F(13)Li3V tetrahedra, corners with two equivalent F(6)Li3V tetrahedra,  a cornercorner with one F(1)Li2V2 trigonal pyramid,  a cornercorner with one F(7)Li3V trigonal pyramid, and corners with two equivalent F(16)Li3V trigonal pyramids. In the ninth F site, F(9) is bonded in a 3-coordinate geometry to one Li(3), one Li(6), one V(2), and one V(6) atom. In the tenth F site, F(10) is bonded in a 4-coordinate geometry to one Li(11), one Li(6), one V(2), and one V(6) atom. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Li(7), one V(1), and one V(5) atom. In the twelfth F site, F(12) is bonded in a trigonal non-coplanar geometry to one Li(10), one Li(5), and one V(4) atom. In the thirteenth F site, F(13) is bonded to one Li(4), one Li(7), one Li(9), and one V(3) atom to form distorted FLi3V tetrahedra that share corners with two equivalent F(6)Li3V tetrahedra,  a cornercorner with one F(1)Li2V2 trigonal pyramid, corners with two equivalent F(16)Li3V trigonal pyramids, corners with two equivalent F(8)Li3V trigonal pyramids, and  an edgeedge with one F(1)Li2V2 trigonal pyramid. In the fourteenth F site, F(14) is bonded to one Li(11), one Li(6), one Li(8), and one V(6) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the fifteenth F site, F(15) is bonded in a T-shaped geometry to one Li(10), one Li(3), and one V(6) atom. In the sixteenth F site, F(16) is bonded to one Li(1), one Li(7), one Li(9), and one V(5) atom to form distorted FLi3V trigonal pyramids that share corners with two equivalent F(13)Li3V tetrahedra, corners with two equivalent F(6)Li3V tetrahedra,  a cornercorner with one F(1)Li2V2 trigonal pyramid,  a cornercorner with one F(17)Li3V trigonal pyramid, and corners with two equivalent F(8)Li3V trigonal pyramids. In the seventeenth F site, F(17) is bonded to one Li(11), one Li(2), one Li(8), and one V(5) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the eighteenth F site, F(18) is bonded in a 4-coordinate geometry to one Li(11), one Li(3), one V(2), 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(3), and one V(4) atom. is represented by the CIF card [CIF]
data_Li11V6O5F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.147
_cell_length_b   5.453
_cell_length_c   16.307
_cell_angle_alpha   80.389
_cell_angle_beta   89.707
_cell_angle_gamma   88.427
_symmetry_Int_Tables_number   1
_cell_volume   451.037
_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  0.529  0.527  0.204  1.0
  Li  Li1  1  0.513  0.330  0.435  1.0
  Li  Li2  1  0.006  0.176  0.778  1.0
  Li  Li3  1  0.006  0.500  0.095  1.0
  Li  Li4  1  0.508  0.974  0.883  1.0
  Li  Li5  1  1.000  0.182  0.555  1.0
  Li  Li6  1  0.976  0.027  0.205  1.0
  Li  Li7  1  0.991  0.826  0.437  1.0
  Li  Li8  1  0.510  0.032  0.110  1.0
  Li  Li9  1  0.000  0.531  0.897  1.0
  Li  Li10  1  0.518  0.664  0.555  1.0
  V  V11  1  0.982  0.330  0.338  1.0
  V  V12  1  0.486  0.177  0.665  1.0
  V  V13  1  0.001  0.993  0.002  1.0
  V  V14  1  0.502  0.493  0.002  1.0
  V  V15  1  0.531  0.833  0.339  1.0
  V  V16  1  0.014  0.653  0.667  1.0
  O  O17  1  0.801  0.593  0.376  1.0
  O  O18  1  0.713  0.096  0.373  1.0
  O  O19  1  0.799  0.268  0.035  1.0
  O  O20  1  0.187  0.697  0.978  1.0
  O  O21  1  0.187  0.378  0.632  1.0
  F  F22  1  0.693  0.767  0.052  1.0
  F  F23  1  0.317  0.535  0.301  1.0
  F  F24  1  0.642  0.297  0.551  1.0
  F  F25  1  0.862  0.093  0.885  1.0
  F  F26  1  0.356  0.057  0.778  1.0
  F  F27  1  0.363  0.372  0.120  1.0
  F  F28  1  0.157  0.213  0.451  1.0
  F  F29  1  0.872  0.382  0.212  1.0
  F  F30  1  0.831  0.976  0.697  1.0
  F  F31  1  0.326  0.877  0.626  1.0
  F  F32  1  0.196  0.035  0.299  1.0
  F  F33  1  0.645  0.632  0.893  1.0
  F  F34  1  0.154  0.903  0.119  1.0
  F  F35  1  0.867  0.798  0.556  1.0
  F  F36  1  0.095  0.539  0.783  1.0
  F  F37  1  0.644  0.879  0.215  1.0
  F  F38  1  0.353  0.716  0.451  1.0
  F  F39  1  0.685  0.458  0.697  1.0
  F  F40  1  0.317  0.203  0.957  1.0
[/CIF]
.