The material 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 6-coordinate geometry to one O(1), one O(5), one F(17), one F(19), one F(5), and one F(8) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(2), one F(14), one F(16), one F(6), and one F(9) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(3), one F(13), one F(15), one F(4), and one F(7) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(5), one F(11), one F(12), one F(17), and one F(8) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(3), one O(4), one F(12), one F(17), one F(18), and one F(5) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(5), one F(11), one F(19), one F(6), and one F(8) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 32-36°. In the second V site, V(2) is bonded to one O(2), one F(1), one F(10), one F(3), one F(4), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-33°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(3), one O(4), one F(13), one F(18), one F(2), and one F(5) atom. In the fourth V site, V(4) is bonded in a distorted octahedral geometry to one O(3), one O(4), one F(12), one F(18), one F(2), and one F(7) atom. In the fifth V site, V(5) is bonded to one O(1), one O(5), one F(11), one F(14), one F(17), and one F(19) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 32-36°. In the sixth V site, V(6) is bonded to one O(2), one F(1), one F(10), one F(15), one F(16), and one F(3) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-33°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one V(1), and one V(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(2), one V(2), and one V(6) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(5), one V(3), and one V(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(5), one V(3), and one V(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one V(1), and one V(5) 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(2) and one V(6) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one Li(3) and one V(2) atom. In the fifth F site, F(5) is bonded in a T-shaped geometry to one Li(1), one Li(5), and one V(3) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Li(2) and one V(1) atom. In the seventh F site, F(7) is bonded in an L-shaped geometry to one Li(3) and one V(4) atom. In the eighth F site, F(8) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(4), and one V(1) atom. In the ninth F site, F(9) is bonded in a water-like geometry to one Li(2) and one V(2) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the eleventh F site, F(11) is bonded in a distorted T-shaped geometry to one Li(4), one V(1), and one V(5) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Li(4), one Li(5), and one V(4) atom. In the thirteenth F site, F(13) is bonded in a water-like geometry to one Li(3) and one V(3) atom. In the fourteenth F site, F(14) is bonded in a bent 120 degrees geometry to one Li(2) and one V(5) atom. In the fifteenth F site, F(15) is bonded in a bent 120 degrees geometry to one Li(3) and one V(6) atom. In the sixteenth F site, F(16) is bonded in an L-shaped geometry to one Li(2) and one V(6) atom. In the seventeenth F site, F(17) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(4), one Li(5), and one V(5) atom. In the eighteenth F site, F(18) is bonded in a distorted T-shaped geometry to one Li(5), one V(3), and one V(4) atom. In the nineteenth F site, F(19) is bonded in a T-shaped geometry to one Li(1), one V(1), and one V(5) atom. is represented by the CIF file [CIF]
data_Li5V6O5F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.208
_cell_length_b   5.400
_cell_length_c   16.161
_cell_angle_alpha   99.460
_cell_angle_beta   90.144
_cell_angle_gamma   90.380
_symmetry_Int_Tables_number   1
_cell_volume   448.337
_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  0.034  0.954  0.773  1.0
  Li  Li1  1  0.742  0.497  0.482  1.0
  Li  Li2  1  0.786  0.304  0.151  1.0
  Li  Li3  1  0.459  0.497  0.786  1.0
  Li  Li4  1  0.975  0.372  0.900  1.0
  V  V5  1  0.524  0.864  0.665  1.0
  V  V6  1  0.999  0.668  0.332  1.0
  V  V7  1  0.027  0.960  0.997  1.0
  V  V8  1  0.527  0.486  0.006  1.0
  V  V9  1  0.978  0.364  0.666  1.0
  V  V10  1  0.517  0.193  0.334  1.0
  O  O11  1  0.808  0.637  0.695  1.0
  O  O12  1  0.709  0.462  0.352  1.0
  O  O13  1  0.787  0.304  0.016  1.0
  O  O14  1  0.195  0.689  0.972  1.0
  O  O15  1  0.701  0.134  0.694  1.0
  F  F16  1  0.799  0.967  0.356  1.0
  F  F17  1  0.702  0.813  0.028  1.0
  F  F18  1  0.295  0.875  0.316  1.0
  F  F19  1  0.918  0.619  0.221  1.0
  F  F20  1  0.914  0.987  0.882  1.0
  F  F21  1  0.584  0.770  0.552  1.0
  F  F22  1  0.417  0.525  0.115  1.0
  F  F23  1  0.383  0.842  0.775  1.0
  F  F24  1  0.066  0.690  0.443  1.0
  F  F25  1  0.203  0.365  0.308  1.0
  F  F26  1  0.311  0.517  0.648  1.0
  F  F27  1  0.623  0.477  0.884  1.0
  F  F28  1  0.073  0.075  0.111  1.0
  F  F29  1  0.908  0.296  0.553  1.0
  F  F30  1  0.593  0.122  0.218  1.0
  F  F31  1  0.430  0.226  0.447  1.0
  F  F32  1  0.112  0.346  0.782  1.0
  F  F33  1  0.284  0.204  0.968  1.0
  F  F34  1  0.190  0.025  0.648  1.0
[/CIF]
.
The material 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 6-coordinate geometry to one O(1), one O(5), one F(17), one F(19), one F(5), and one F(8) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(2), one F(14), one F(16), one F(6), and one F(9) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(3), one F(13), one F(15), one F(4), and one F(7) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(5), one F(11), one F(12), one F(17), and one F(8) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(3), one O(4), one F(12), one F(17), one F(18), and one F(5) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(5), one F(11), one F(19), one F(6), and one F(8) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 32-36°. In the second V site, V(2) is bonded to one O(2), one F(1), one F(10), one F(3), one F(4), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-33°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(3), one O(4), one F(13), one F(18), one F(2), and one F(5) atom. In the fourth V site, V(4) is bonded in a distorted octahedral geometry to one O(3), one O(4), one F(12), one F(18), one F(2), and one F(7) atom. In the fifth V site, V(5) is bonded to one O(1), one O(5), one F(11), one F(14), one F(17), and one F(19) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 32-36°. In the sixth V site, V(6) is bonded to one O(2), one F(1), one F(10), one F(15), one F(16), and one F(3) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-33°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one V(1), and one V(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(2), one V(2), and one V(6) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(5), one V(3), and one V(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(5), one V(3), and one V(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one V(1), and one V(5) 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(2) and one V(6) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one Li(3) and one V(2) atom. In the fifth F site, F(5) is bonded in a T-shaped geometry to one Li(1), one Li(5), and one V(3) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Li(2) and one V(1) atom. In the seventh F site, F(7) is bonded in an L-shaped geometry to one Li(3) and one V(4) atom. In the eighth F site, F(8) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(4), and one V(1) atom. In the ninth F site, F(9) is bonded in a water-like geometry to one Li(2) and one V(2) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the eleventh F site, F(11) is bonded in a distorted T-shaped geometry to one Li(4), one V(1), and one V(5) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Li(4), one Li(5), and one V(4) atom. In the thirteenth F site, F(13) is bonded in a water-like geometry to one Li(3) and one V(3) atom. In the fourteenth F site, F(14) is bonded in a bent 120 degrees geometry to one Li(2) and one V(5) atom. In the fifteenth F site, F(15) is bonded in a bent 120 degrees geometry to one Li(3) and one V(6) atom. In the sixteenth F site, F(16) is bonded in an L-shaped geometry to one Li(2) and one V(6) atom. In the seventeenth F site, F(17) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(4), one Li(5), and one V(5) atom. In the eighteenth F site, F(18) is bonded in a distorted T-shaped geometry to one Li(5), one V(3), and one V(4) atom. In the nineteenth F site, F(19) is bonded in a T-shaped geometry to one Li(1), one V(1), and one V(5) atom. is represented by the CIF file [CIF]
data_Li5V6O5F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.208
_cell_length_b   5.400
_cell_length_c   16.161
_cell_angle_alpha   99.460
_cell_angle_beta   90.144
_cell_angle_gamma   90.380
_symmetry_Int_Tables_number   1
_cell_volume   448.337
_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  0.034  0.954  0.773  1.0
  Li  Li1  1  0.742  0.497  0.482  1.0
  Li  Li2  1  0.786  0.304  0.151  1.0
  Li  Li3  1  0.459  0.497  0.786  1.0
  Li  Li4  1  0.975  0.372  0.900  1.0
  V  V5  1  0.524  0.864  0.665  1.0
  V  V6  1  0.999  0.668  0.332  1.0
  V  V7  1  0.027  0.960  0.997  1.0
  V  V8  1  0.527  0.486  0.006  1.0
  V  V9  1  0.978  0.364  0.666  1.0
  V  V10  1  0.517  0.193  0.334  1.0
  O  O11  1  0.808  0.637  0.695  1.0
  O  O12  1  0.709  0.462  0.352  1.0
  O  O13  1  0.787  0.304  0.016  1.0
  O  O14  1  0.195  0.689  0.972  1.0
  O  O15  1  0.701  0.134  0.694  1.0
  F  F16  1  0.799  0.967  0.356  1.0
  F  F17  1  0.702  0.813  0.028  1.0
  F  F18  1  0.295  0.875  0.316  1.0
  F  F19  1  0.918  0.619  0.221  1.0
  F  F20  1  0.914  0.987  0.882  1.0
  F  F21  1  0.584  0.770  0.552  1.0
  F  F22  1  0.417  0.525  0.115  1.0
  F  F23  1  0.383  0.842  0.775  1.0
  F  F24  1  0.066  0.690  0.443  1.0
  F  F25  1  0.203  0.365  0.308  1.0
  F  F26  1  0.311  0.517  0.648  1.0
  F  F27  1  0.623  0.477  0.884  1.0
  F  F28  1  0.073  0.075  0.111  1.0
  F  F29  1  0.908  0.296  0.553  1.0
  F  F30  1  0.593  0.122  0.218  1.0
  F  F31  1  0.430  0.226  0.447  1.0
  F  F32  1  0.112  0.346  0.782  1.0
  F  F33  1  0.284  0.204  0.968  1.0
  F  F34  1  0.190  0.025  0.648  1.0
[/CIF]
.