The structure described by LiV2OF5 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(3), one F(10), one F(14), one F(17), 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(4), one F(12), one F(15), one F(18), one F(20), and one F(8) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one F(13), one F(19), one F(2), one F(6), and one F(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(2), one O(4), one F(1), one F(15), one F(3), and one F(8) atom. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one F(1), one F(17), one F(3), one F(4), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 34-48°. In the second V site, V(2) is bonded to one O(1), one F(11), one F(12), one F(16), one F(18), and one F(5) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 30-42°. In the third V site, V(3) is bonded to one O(1), one F(11), one F(13), one F(16), one F(2), and one F(6) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 30-45°. In the fourth V site, V(4) is bonded to one O(2), one F(10), one F(14), one F(17), one F(4), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 33-48°. In the fifth V site, V(5) is bonded to one O(3), one F(10), one F(14), one F(19), one F(7), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 31-46°. In the sixth V site, V(6) is bonded to one O(4), one F(1), one F(15), one F(20), one F(3), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 31-47°. In the seventh V site, V(7) is bonded to one O(4), one F(12), one F(15), one F(18), one F(20), and one F(5) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 31-43°. In the eighth V site, V(8) is bonded to one O(3), one F(13), one F(19), one F(2), one F(6), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 31-46°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(3), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one V(4) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one V(5), and one V(8) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one V(6), and one V(7) atom. There are twenty inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Li(4), one V(1), and one V(6) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(3), one V(3), and one V(8) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one V(6) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Li(1), one V(1), and one V(4) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(7) atom. In the sixth F site, F(6) is bonded in a T-shaped geometry to one Li(3), one V(3), and one V(8) atom. In the seventh F site, F(7) is bonded in a T-shaped geometry to one Li(1), one V(4), and one V(5) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one V(1), and one V(6) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Li(3), one V(5), and one V(8) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Li(1), one V(4), and one V(5) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one V(7) atom. In the thirteenth F site, F(13) is bonded in a T-shaped geometry to one Li(3), one V(3), and one V(8) atom. In the fourteenth F site, F(14) is bonded in a T-shaped geometry to one Li(1), one V(4), and one V(5) atom. In the fifteenth F site, F(15) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one V(6), and one V(7) atom. In the sixteenth F site, F(16) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the seventeenth F site, F(17) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one V(4) atom. In the eighteenth F site, F(18) is bonded in a T-shaped geometry to one Li(2), one V(2), and one V(7) atom. In the nineteenth F site, F(19) is bonded in a distorted T-shaped geometry to one Li(3), one V(5), and one V(8) atom. In the twentieth F site, F(20) is bonded in a T-shaped geometry to one Li(2), one V(6), and one V(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.069
_cell_length_b   5.414
_cell_length_c   16.786
_cell_angle_alpha   84.820
_cell_angle_beta   82.399
_cell_angle_gamma   62.366
_symmetry_Int_Tables_number   1
_cell_volume   404.282
_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  0.497  0.688  0.309  1.0
  Li  Li1  1  0.625  0.806  0.919  1.0
  Li  Li2  1  0.736  0.953  0.559  1.0
  Li  Li3  1  0.274  0.419  0.056  1.0
  V  V4  1  0.659  0.598  0.127  1.0
  V  V5  1  0.733  0.766  0.742  1.0
  V  V6  1  0.137  0.120  0.630  1.0
  V  V7  1  0.245  0.252  0.243  1.0
  V  V8  1  0.899  0.860  0.377  1.0
  V  V9  1  0.023  0.977  0.998  1.0
  V  V10  1  0.373  0.402  0.875  1.0
  V  V11  1  0.481  0.515  0.495  1.0
  O  O12  1  0.500  0.924  0.663  1.0
  O  O13  1  0.029  0.404  0.160  1.0
  O  O14  1  0.261  0.664  0.412  1.0
  O  O15  1  0.297  0.682  0.938  1.0
  F  F16  1  0.237  0.792  0.095  1.0
  F  F17  1  0.160  0.812  0.565  1.0
  F  F18  1  0.684  0.290  0.063  1.0
  F  F19  1  0.570  0.934  0.184  1.0
  F  F20  1  0.526  0.532  0.780  1.0
  F  F21  1  0.728  0.321  0.587  1.0
  F  F22  1  0.074  0.992  0.278  1.0
  F  F23  1  0.787  0.753  0.024  1.0
  F  F24  1  0.711  0.736  0.476  1.0
  F  F25  1  0.922  0.547  0.314  1.0
  F  F26  1  0.053  0.459  0.684  1.0
  F  F27  1  0.952  0.594  0.845  1.0
  F  F28  1  0.311  0.255  0.531  1.0
  F  F29  1  0.487  0.056  0.337  1.0
  F  F30  1  0.247  0.206  0.976  1.0
  F  F31  1  0.948  0.989  0.722  1.0
  F  F32  1  0.482  0.468  0.228  1.0
  F  F33  1  0.447  0.050  0.826  1.0
  F  F34  1  0.803  0.195  0.435  1.0
  F  F35  1  0.778  0.154  0.908  1.0
[/CIF]
.
The structure described by LiV2OF5 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(3), one F(10), one F(14), one F(17), 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(4), one F(12), one F(15), one F(18), one F(20), and one F(8) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one F(13), one F(19), one F(2), one F(6), and one F(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(2), one O(4), one F(1), one F(15), one F(3), and one F(8) atom. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one F(1), one F(17), one F(3), one F(4), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 34-48°. In the second V site, V(2) is bonded to one O(1), one F(11), one F(12), one F(16), one F(18), and one F(5) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 30-42°. In the third V site, V(3) is bonded to one O(1), one F(11), one F(13), one F(16), one F(2), and one F(6) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 30-45°. In the fourth V site, V(4) is bonded to one O(2), one F(10), one F(14), one F(17), one F(4), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 33-48°. In the fifth V site, V(5) is bonded to one O(3), one F(10), one F(14), one F(19), one F(7), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 31-46°. In the sixth V site, V(6) is bonded to one O(4), one F(1), one F(15), one F(20), one F(3), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 31-47°. In the seventh V site, V(7) is bonded to one O(4), one F(12), one F(15), one F(18), one F(20), and one F(5) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 31-43°. In the eighth V site, V(8) is bonded to one O(3), one F(13), one F(19), one F(2), one F(6), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 31-46°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(3), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one V(4) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one V(5), and one V(8) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one V(6), and one V(7) atom. There are twenty inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Li(4), one V(1), and one V(6) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(3), one V(3), and one V(8) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one V(6) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one Li(1), one V(1), and one V(4) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(7) atom. In the sixth F site, F(6) is bonded in a T-shaped geometry to one Li(3), one V(3), and one V(8) atom. In the seventh F site, F(7) is bonded in a T-shaped geometry to one Li(1), one V(4), and one V(5) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one V(1), and one V(6) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Li(3), one V(5), and one V(8) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Li(1), one V(4), and one V(5) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one V(7) atom. In the thirteenth F site, F(13) is bonded in a T-shaped geometry to one Li(3), one V(3), and one V(8) atom. In the fourteenth F site, F(14) is bonded in a T-shaped geometry to one Li(1), one V(4), and one V(5) atom. In the fifteenth F site, F(15) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one V(6), and one V(7) atom. In the sixteenth F site, F(16) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the seventeenth F site, F(17) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one V(4) atom. In the eighteenth F site, F(18) is bonded in a T-shaped geometry to one Li(2), one V(2), and one V(7) atom. In the nineteenth F site, F(19) is bonded in a distorted T-shaped geometry to one Li(3), one V(5), and one V(8) atom. In the twentieth F site, F(20) is bonded in a T-shaped geometry to one Li(2), one V(6), and one V(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.069
_cell_length_b   5.414
_cell_length_c   16.786
_cell_angle_alpha   84.820
_cell_angle_beta   82.399
_cell_angle_gamma   62.366
_symmetry_Int_Tables_number   1
_cell_volume   404.282
_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  0.497  0.688  0.309  1.0
  Li  Li1  1  0.625  0.806  0.919  1.0
  Li  Li2  1  0.736  0.953  0.559  1.0
  Li  Li3  1  0.274  0.419  0.056  1.0
  V  V4  1  0.659  0.598  0.127  1.0
  V  V5  1  0.733  0.766  0.742  1.0
  V  V6  1  0.137  0.120  0.630  1.0
  V  V7  1  0.245  0.252  0.243  1.0
  V  V8  1  0.899  0.860  0.377  1.0
  V  V9  1  0.023  0.977  0.998  1.0
  V  V10  1  0.373  0.402  0.875  1.0
  V  V11  1  0.481  0.515  0.495  1.0
  O  O12  1  0.500  0.924  0.663  1.0
  O  O13  1  0.029  0.404  0.160  1.0
  O  O14  1  0.261  0.664  0.412  1.0
  O  O15  1  0.297  0.682  0.938  1.0
  F  F16  1  0.237  0.792  0.095  1.0
  F  F17  1  0.160  0.812  0.565  1.0
  F  F18  1  0.684  0.290  0.063  1.0
  F  F19  1  0.570  0.934  0.184  1.0
  F  F20  1  0.526  0.532  0.780  1.0
  F  F21  1  0.728  0.321  0.587  1.0
  F  F22  1  0.074  0.992  0.278  1.0
  F  F23  1  0.787  0.753  0.024  1.0
  F  F24  1  0.711  0.736  0.476  1.0
  F  F25  1  0.922  0.547  0.314  1.0
  F  F26  1  0.053  0.459  0.684  1.0
  F  F27  1  0.952  0.594  0.845  1.0
  F  F28  1  0.311  0.255  0.531  1.0
  F  F29  1  0.487  0.056  0.337  1.0
  F  F30  1  0.247  0.206  0.976  1.0
  F  F31  1  0.948  0.989  0.722  1.0
  F  F32  1  0.482  0.468  0.228  1.0
  F  F33  1  0.447  0.050  0.826  1.0
  F  F34  1  0.803  0.195  0.435  1.0
  F  F35  1  0.778  0.154  0.908  1.0
[/CIF]
.