The crystal structure described by Li5V6O5F19 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(5), one F(16), one F(4), and one F(7) atom. In the second Li site, Li(2) is bonded to one O(1), one F(12), one F(5), and one F(9) atom to form distorted LiOF3 tetrahedra that share  a cornercorner with one V(3)OF5 octahedra, corners with two equivalent V(4)O2F4 octahedra, and  an edgeedge with one V(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the third Li site, Li(3) is bonded to one O(3), one F(14), one F(6), and one F(8) atom to form distorted LiOF3 tetrahedra that share  a cornercorner with one V(5)O2F4 octahedra,  a cornercorner with one V(1)OF5 octahedra,  a cornercorner with one V(3)OF5 octahedra, and  an edgeedge with one V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-73°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(2), one F(15), one F(16), one F(4), and one F(7) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(4), one F(10), one F(12), one F(13), one F(19), and one F(5) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(4), one F(1), one F(10), one F(13), one F(19), and one F(8) atom to form VOF5 octahedra that share corners with four equivalent V(3)OF5 octahedra and  a cornercorner with one Li(3)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 29-34°. In the second V site, V(2) is bonded to one O(2), one O(3), one F(2), one F(3), one F(6), and one F(7) atom to form VO2F4 octahedra that share corners with four equivalent V(5)O2F4 octahedra and  an edgeedge with one Li(3)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 19-28°. In the third V site, V(3) is bonded to one O(4), one F(1), one F(10), one F(14), one F(19), and one F(5) atom to form VOF5 octahedra that share corners with four equivalent V(1)OF5 octahedra,  a cornercorner with one Li(2)OF3 tetrahedra, and  a cornercorner with one Li(3)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 29-34°. In the fourth V site, V(4) is bonded to one O(1), one O(5), one F(11), one F(18), one F(4), and one F(9) atom to form distorted VO2F4 octahedra that share corners with four equivalent V(6)O2F4 octahedra and corners with two equivalent Li(2)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 24-39°. In the fifth V site, V(5) is bonded to one O(2), one O(3), one F(16), one F(17), one F(2), and one F(3) atom to form VO2F4 octahedra that share corners with four equivalent V(2)O2F4 octahedra and  a cornercorner with one Li(3)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 19-28°. In the sixth V site, V(6) is bonded to one O(1), one O(5), one F(11), one F(12), one F(15), and one F(18) atom to form distorted VO2F4 octahedra that share corners with four equivalent V(4)O2F4 octahedra and  an edgeedge with one Li(2)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 24-39°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one V(4), and one V(6) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(4), one V(2), and one V(5) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(3), one V(2), and one V(5) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(5), one V(1), and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one V(4), and one V(6) atom. There are nineteen inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one V(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Li(5), and one V(3) atom. In the sixth F site, F(6) is bonded in a water-like geometry to one Li(3) and one V(2) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Li(1), one Li(4), and one V(2) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Li(3) and one V(1) atom. In the ninth F site, F(9) is bonded in a bent 120 degrees geometry to one Li(2) and one V(4) atom. In the tenth F site, F(10) is bonded in a T-shaped geometry to one Li(5), one V(1), and one V(3) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the twelfth F site, F(12) is bonded in a trigonal non-coplanar geometry to one Li(2), one Li(5), and one V(6) atom. In the thirteenth F site, F(13) is bonded in a water-like geometry to one Li(5) and one V(1) atom. In the fourteenth F site, F(14) is bonded in a bent 120 degrees geometry to one Li(3) and one V(3) atom. In the fifteenth F site, F(15) is bonded in a distorted bent 150 degrees geometry to one Li(4) and one V(6) atom. In the sixteenth F site, F(16) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one V(5) atom. In the seventeenth F site, F(17) is bonded in a single-bond geometry to one V(5) atom. In the eighteenth F site, F(18) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the nineteenth F site, F(19) is bonded in a distorted T-shaped geometry to one Li(5), one V(1), and one V(3) atom. is represented by the CIF card [CIF]
data_Li5V6O5F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.185
_cell_length_b   5.386
_cell_length_c   16.178
_cell_angle_alpha   79.997
_cell_angle_beta   89.887
_cell_angle_gamma   89.866
_symmetry_Int_Tables_number   1
_cell_volume   444.927
_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  0.715  0.024  0.506  1.0
  Li  Li1  1  0.958  0.221  0.789  1.0
  Li  Li2  1  0.827  0.625  0.174  1.0
  Li  Li3  1  0.292  0.519  0.488  1.0
  Li  Li4  1  0.033  0.653  0.890  1.0
  V  V5  1  0.509  0.492  1.000  1.0
  V  V6  1  0.027  0.361  0.334  1.0
  V  V7  1  0.983  0.032  0.001  1.0
  V  V8  1  0.466  0.189  0.672  1.0
  V  V9  1  0.522  0.810  0.328  1.0
  V  V10  1  0.975  0.700  0.664  1.0
  O  O11  1  0.209  0.360  0.688  1.0
  O  O12  1  0.284  0.550  0.354  1.0
  O  O13  1  0.782  0.611  0.313  1.0
  O  O14  1  0.791  0.304  0.979  1.0
  O  O15  1  0.782  0.948  0.645  1.0
  F  F16  1  0.300  0.190  0.023  1.0
  F  F17  1  0.220  0.045  0.355  1.0
  F  F18  1  0.720  0.110  0.321  1.0
  F  F19  1  0.431  0.206  0.552  1.0
  F  F20  1  0.083  0.016  0.886  1.0
  F  F21  1  0.075  0.371  0.221  1.0
  F  F22  1  0.932  0.283  0.450  1.0
  F  F23  1  0.585  0.476  0.112  1.0
  F  F24  1  0.617  0.120  0.778  1.0
  F  F25  1  0.187  0.687  0.019  1.0
  F  F26  1  0.716  0.457  0.640  1.0
  F  F27  1  0.920  0.580  0.783  1.0
  F  F28  1  0.385  0.537  0.891  1.0
  F  F29  1  0.909  0.945  0.113  1.0
  F  F30  1  0.097  0.716  0.553  1.0
  F  F31  1  0.571  0.773  0.449  1.0
  F  F32  1  0.425  0.884  0.220  1.0
  F  F33  1  0.281  0.866  0.697  1.0
  F  F34  1  0.702  0.806  0.973  1.0
[/CIF]
.
The crystal structure described by Li5V6O5F19 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(5), one F(16), one F(4), and one F(7) atom. In the second Li site, Li(2) is bonded to one O(1), one F(12), one F(5), and one F(9) atom to form distorted LiOF3 tetrahedra that share  a cornercorner with one V(3)OF5 octahedra, corners with two equivalent V(4)O2F4 octahedra, and  an edgeedge with one V(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the third Li site, Li(3) is bonded to one O(3), one F(14), one F(6), and one F(8) atom to form distorted LiOF3 tetrahedra that share  a cornercorner with one V(5)O2F4 octahedra,  a cornercorner with one V(1)OF5 octahedra,  a cornercorner with one V(3)OF5 octahedra, and  an edgeedge with one V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 44-73°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(2), one F(15), one F(16), one F(4), and one F(7) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(4), one F(10), one F(12), one F(13), one F(19), and one F(5) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(4), one F(1), one F(10), one F(13), one F(19), and one F(8) atom to form VOF5 octahedra that share corners with four equivalent V(3)OF5 octahedra and  a cornercorner with one Li(3)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 29-34°. In the second V site, V(2) is bonded to one O(2), one O(3), one F(2), one F(3), one F(6), and one F(7) atom to form VO2F4 octahedra that share corners with four equivalent V(5)O2F4 octahedra and  an edgeedge with one Li(3)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 19-28°. In the third V site, V(3) is bonded to one O(4), one F(1), one F(10), one F(14), one F(19), and one F(5) atom to form VOF5 octahedra that share corners with four equivalent V(1)OF5 octahedra,  a cornercorner with one Li(2)OF3 tetrahedra, and  a cornercorner with one Li(3)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 29-34°. In the fourth V site, V(4) is bonded to one O(1), one O(5), one F(11), one F(18), one F(4), and one F(9) atom to form distorted VO2F4 octahedra that share corners with four equivalent V(6)O2F4 octahedra and corners with two equivalent Li(2)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 24-39°. In the fifth V site, V(5) is bonded to one O(2), one O(3), one F(16), one F(17), one F(2), and one F(3) atom to form VO2F4 octahedra that share corners with four equivalent V(2)O2F4 octahedra and  a cornercorner with one Li(3)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 19-28°. In the sixth V site, V(6) is bonded to one O(1), one O(5), one F(11), one F(12), one F(15), and one F(18) atom to form distorted VO2F4 octahedra that share corners with four equivalent V(4)O2F4 octahedra and  an edgeedge with one Li(2)OF3 tetrahedra. The corner-sharing octahedral tilt angles range from 24-39°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one V(4), and one V(6) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(4), one V(2), and one V(5) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(3), one V(2), and one V(5) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(5), one V(1), and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one V(4), and one V(6) atom. There are nineteen inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one V(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Li(5), and one V(3) atom. In the sixth F site, F(6) is bonded in a water-like geometry to one Li(3) and one V(2) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Li(1), one Li(4), and one V(2) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Li(3) and one V(1) atom. In the ninth F site, F(9) is bonded in a bent 120 degrees geometry to one Li(2) and one V(4) atom. In the tenth F site, F(10) is bonded in a T-shaped geometry to one Li(5), one V(1), and one V(3) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the twelfth F site, F(12) is bonded in a trigonal non-coplanar geometry to one Li(2), one Li(5), and one V(6) atom. In the thirteenth F site, F(13) is bonded in a water-like geometry to one Li(5) and one V(1) atom. In the fourteenth F site, F(14) is bonded in a bent 120 degrees geometry to one Li(3) and one V(3) atom. In the fifteenth F site, F(15) is bonded in a distorted bent 150 degrees geometry to one Li(4) and one V(6) atom. In the sixteenth F site, F(16) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one V(5) atom. In the seventeenth F site, F(17) is bonded in a single-bond geometry to one V(5) atom. In the eighteenth F site, F(18) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the nineteenth F site, F(19) is bonded in a distorted T-shaped geometry to one Li(5), one V(1), and one V(3) atom. is represented by the CIF card [CIF]
data_Li5V6O5F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.185
_cell_length_b   5.386
_cell_length_c   16.178
_cell_angle_alpha   79.997
_cell_angle_beta   89.887
_cell_angle_gamma   89.866
_symmetry_Int_Tables_number   1
_cell_volume   444.927
_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  0.715  0.024  0.506  1.0
  Li  Li1  1  0.958  0.221  0.789  1.0
  Li  Li2  1  0.827  0.625  0.174  1.0
  Li  Li3  1  0.292  0.519  0.488  1.0
  Li  Li4  1  0.033  0.653  0.890  1.0
  V  V5  1  0.509  0.492  1.000  1.0
  V  V6  1  0.027  0.361  0.334  1.0
  V  V7  1  0.983  0.032  0.001  1.0
  V  V8  1  0.466  0.189  0.672  1.0
  V  V9  1  0.522  0.810  0.328  1.0
  V  V10  1  0.975  0.700  0.664  1.0
  O  O11  1  0.209  0.360  0.688  1.0
  O  O12  1  0.284  0.550  0.354  1.0
  O  O13  1  0.782  0.611  0.313  1.0
  O  O14  1  0.791  0.304  0.979  1.0
  O  O15  1  0.782  0.948  0.645  1.0
  F  F16  1  0.300  0.190  0.023  1.0
  F  F17  1  0.220  0.045  0.355  1.0
  F  F18  1  0.720  0.110  0.321  1.0
  F  F19  1  0.431  0.206  0.552  1.0
  F  F20  1  0.083  0.016  0.886  1.0
  F  F21  1  0.075  0.371  0.221  1.0
  F  F22  1  0.932  0.283  0.450  1.0
  F  F23  1  0.585  0.476  0.112  1.0
  F  F24  1  0.617  0.120  0.778  1.0
  F  F25  1  0.187  0.687  0.019  1.0
  F  F26  1  0.716  0.457  0.640  1.0
  F  F27  1  0.920  0.580  0.783  1.0
  F  F28  1  0.385  0.537  0.891  1.0
  F  F29  1  0.909  0.945  0.113  1.0
  F  F30  1  0.097  0.716  0.553  1.0
  F  F31  1  0.571  0.773  0.449  1.0
  F  F32  1  0.425  0.884  0.220  1.0
  F  F33  1  0.281  0.866  0.697  1.0
  F  F34  1  0.702  0.806  0.973  1.0
[/CIF]
.