The crystal structure described by Li2VOF4 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(4), one F(13), one F(2), one F(8), and two equivalent F(9) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(3), one F(1), one F(14), one F(7), and two equivalent F(10) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one F(15), one F(3), one F(6), and two equivalent F(11) atoms. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(2), one F(16), one F(4), one F(5), and two equivalent F(12) atoms. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(3), one F(1), one F(11), one F(5), and two equivalent F(15) atoms. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(4), one F(12), one F(2), one F(6), and two equivalent F(16) atoms. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(1), one F(3), one F(7), one F(9), and two equivalent F(13) atoms. In the eighth Li site, Li(8) is bonded in a 6-coordinate geometry to one O(2), one F(10), one F(4), one F(8), and two equivalent F(14) atoms. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), one F(12), one F(14), one F(3), and one F(6) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles are 14°. In the second V site, V(2) is bonded to two equivalent O(4), one F(1), one F(16), one F(7), and one F(9) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles are 14°. In the third V site, V(3) is bonded to two equivalent O(1), one F(11), one F(13), one F(4), and one F(5) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles are 14°. In the fourth V site, V(4) is bonded to two equivalent O(3), one F(10), one F(15), one F(2), and one F(8) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles are 14°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(3), one Li(7), and two equivalent V(3) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), one Li(8), and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), one Li(5), and two equivalent V(4) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(6), and two equivalent V(2) atoms. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(2), one Li(5), and one V(2) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(1), one Li(6), and one V(4) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Li(3), one Li(7), and one V(1) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Li(4), one Li(8), and one V(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(4), one Li(5), and one V(3) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(6), and one V(1) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(7), and one V(2) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(8), and one V(4) atom. In the ninth F site, F(9) is bonded to one Li(7), two equivalent Li(1), and one V(2) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the tenth F site, F(10) is bonded to one Li(8), two equivalent Li(2), and one V(4) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the eleventh F site, F(11) is bonded to one Li(5), two equivalent Li(3), and one V(3) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the twelfth F site, F(12) is bonded to one Li(6), two equivalent Li(4), and one V(1) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the thirteenth F site, F(13) is bonded to one Li(1), two equivalent Li(7), and one V(3) atom to form a mixture of distorted corner and edge-sharing FLi3V tetrahedra. In the fourteenth F site, F(14) is bonded to one Li(2), two equivalent Li(8), and one V(1) atom to form a mixture of distorted corner and edge-sharing FLi3V tetrahedra. In the fifteenth F site, F(15) is bonded to one Li(3), two equivalent Li(5), and one V(4) atom to form a mixture of distorted corner and edge-sharing FLi3V tetrahedra. In the sixteenth F site, F(16) is bonded to one Li(4), two equivalent Li(6), and one V(2) atom to form a mixture of distorted corner and edge-sharing FLi3V tetrahedra. is represented by the CIF card [CIF]
data_Li2VOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.701
_cell_length_b   11.525
_cell_length_c   9.994
_cell_angle_alpha   64.288
_cell_angle_beta   90.147
_cell_angle_gamma   99.104
_symmetry_Int_Tables_number   1
_cell_volume   378.165
_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  0.962  0.921  0.904  1.0
  Li  Li1  1  0.459  0.921  0.404  1.0
  Li  Li2  1  0.205  0.422  0.925  1.0
  Li  Li3  1  0.705  0.421  0.425  1.0
  Li  Li4  1  0.616  0.248  0.193  1.0
  Li  Li5  1  0.126  0.248  0.693  1.0
  Li  Li6  1  0.371  0.749  0.808  1.0
  Li  Li7  1  0.877  0.748  0.309  1.0
  V  V8  1  0.319  0.559  0.582  1.0
  V  V9  1  0.572  0.059  0.609  1.0
  V  V10  1  0.818  0.559  0.082  1.0
  V  V11  1  0.986  0.059  0.109  1.0
  O  O12  1  0.281  0.568  0.057  1.0
  O  O13  1  0.783  0.568  0.557  1.0
  O  O14  1  0.530  0.068  0.125  1.0
  O  O15  1  0.036  0.068  0.625  1.0
  F  F16  1  0.554  0.124  0.399  1.0
  F  F17  1  0.066  0.124  0.899  1.0
  F  F18  1  0.300  0.624  0.727  1.0
  F  F19  1  0.799  0.624  0.227  1.0
  F  F20  1  0.694  0.391  0.251  1.0
  F  F21  1  0.195  0.391  0.751  1.0
  F  F22  1  0.448  0.891  0.608  1.0
  F  F23  1  0.948  0.891  0.109  1.0
  F  F24  1  0.474  0.952  0.829  1.0
  F  F25  1  0.977  0.952  0.329  1.0
  F  F26  1  0.718  0.452  0.969  1.0
  F  F27  1  0.219  0.452  0.469  1.0
  F  F28  1  0.863  0.737  0.904  1.0
  F  F29  1  0.366  0.737  0.404  1.0
  F  F30  1  0.115  0.237  0.109  1.0
  F  F31  1  0.616  0.237  0.609  1.0
[/CIF]
.
The crystal structure described by Li2VOF4 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(4), one F(13), one F(2), one F(8), and two equivalent F(9) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(3), one F(1), one F(14), one F(7), and two equivalent F(10) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one F(15), one F(3), one F(6), and two equivalent F(11) atoms. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(2), one F(16), one F(4), one F(5), and two equivalent F(12) atoms. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(3), one F(1), one F(11), one F(5), and two equivalent F(15) atoms. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(4), one F(12), one F(2), one F(6), and two equivalent F(16) atoms. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(1), one F(3), one F(7), one F(9), and two equivalent F(13) atoms. In the eighth Li site, Li(8) is bonded in a 6-coordinate geometry to one O(2), one F(10), one F(4), one F(8), and two equivalent F(14) atoms. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), one F(12), one F(14), one F(3), and one F(6) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles are 14°. In the second V site, V(2) is bonded to two equivalent O(4), one F(1), one F(16), one F(7), and one F(9) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles are 14°. In the third V site, V(3) is bonded to two equivalent O(1), one F(11), one F(13), one F(4), and one F(5) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles are 14°. In the fourth V site, V(4) is bonded to two equivalent O(3), one F(10), one F(15), one F(2), and one F(8) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles are 14°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(3), one Li(7), and two equivalent V(3) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), one Li(8), and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), one Li(5), and two equivalent V(4) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(6), and two equivalent V(2) atoms. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(2), one Li(5), and one V(2) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Li(1), one Li(6), and one V(4) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Li(3), one Li(7), and one V(1) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Li(4), one Li(8), and one V(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(4), one Li(5), and one V(3) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(6), and one V(1) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(7), and one V(2) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(8), and one V(4) atom. In the ninth F site, F(9) is bonded to one Li(7), two equivalent Li(1), and one V(2) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the tenth F site, F(10) is bonded to one Li(8), two equivalent Li(2), and one V(4) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the eleventh F site, F(11) is bonded to one Li(5), two equivalent Li(3), and one V(3) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the twelfth F site, F(12) is bonded to one Li(6), two equivalent Li(4), and one V(1) atom to form a mixture of distorted corner and edge-sharing FLi3V trigonal pyramids. In the thirteenth F site, F(13) is bonded to one Li(1), two equivalent Li(7), and one V(3) atom to form a mixture of distorted corner and edge-sharing FLi3V tetrahedra. In the fourteenth F site, F(14) is bonded to one Li(2), two equivalent Li(8), and one V(1) atom to form a mixture of distorted corner and edge-sharing FLi3V tetrahedra. In the fifteenth F site, F(15) is bonded to one Li(3), two equivalent Li(5), and one V(4) atom to form a mixture of distorted corner and edge-sharing FLi3V tetrahedra. In the sixteenth F site, F(16) is bonded to one Li(4), two equivalent Li(6), and one V(2) atom to form a mixture of distorted corner and edge-sharing FLi3V tetrahedra. is represented by the CIF card [CIF]
data_Li2VOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.701
_cell_length_b   11.525
_cell_length_c   9.994
_cell_angle_alpha   64.288
_cell_angle_beta   90.147
_cell_angle_gamma   99.104
_symmetry_Int_Tables_number   1
_cell_volume   378.165
_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  0.962  0.921  0.904  1.0
  Li  Li1  1  0.459  0.921  0.404  1.0
  Li  Li2  1  0.205  0.422  0.925  1.0
  Li  Li3  1  0.705  0.421  0.425  1.0
  Li  Li4  1  0.616  0.248  0.193  1.0
  Li  Li5  1  0.126  0.248  0.693  1.0
  Li  Li6  1  0.371  0.749  0.808  1.0
  Li  Li7  1  0.877  0.748  0.309  1.0
  V  V8  1  0.319  0.559  0.582  1.0
  V  V9  1  0.572  0.059  0.609  1.0
  V  V10  1  0.818  0.559  0.082  1.0
  V  V11  1  0.986  0.059  0.109  1.0
  O  O12  1  0.281  0.568  0.057  1.0
  O  O13  1  0.783  0.568  0.557  1.0
  O  O14  1  0.530  0.068  0.125  1.0
  O  O15  1  0.036  0.068  0.625  1.0
  F  F16  1  0.554  0.124  0.399  1.0
  F  F17  1  0.066  0.124  0.899  1.0
  F  F18  1  0.300  0.624  0.727  1.0
  F  F19  1  0.799  0.624  0.227  1.0
  F  F20  1  0.694  0.391  0.251  1.0
  F  F21  1  0.195  0.391  0.751  1.0
  F  F22  1  0.448  0.891  0.608  1.0
  F  F23  1  0.948  0.891  0.109  1.0
  F  F24  1  0.474  0.952  0.829  1.0
  F  F25  1  0.977  0.952  0.329  1.0
  F  F26  1  0.718  0.452  0.969  1.0
  F  F27  1  0.219  0.452  0.469  1.0
  F  F28  1  0.863  0.737  0.904  1.0
  F  F29  1  0.366  0.737  0.404  1.0
  F  F30  1  0.115  0.237  0.109  1.0
  F  F31  1  0.616  0.237  0.609  1.0
[/CIF]
.