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(2), one F(1), one F(11), one F(14), one F(4), and one F(5) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one F(16), 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(2), one F(4), one F(6), and one F(8) atom. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(2), one F(10), one F(5), one F(7), and one F(9) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(3), one F(11), one F(4), one F(6), and one F(8) atom. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one F(10), one F(12), one F(15), one F(7), and one F(9) atom. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(4), one F(1), one F(12), one F(14), one F(15), and one F(2) atom. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(3), one F(13), one F(16), one F(3), and one F(5) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(1), one F(12), one F(15), one F(16), and one F(2) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. In the second V site, V(2) is bonded to one O(2), one O(3), one F(11), one F(14), one F(3), and one F(5) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. In the third V site, V(3) is bonded to one O(1), one O(4), one F(12), one F(7), one F(8), and one F(9) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. In the fourth V site, V(4) is bonded to one O(2), one O(3), one F(10), one F(13), one F(4), and one F(6) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one V(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one V(2), and one V(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(5), one Li(8), one V(2), and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Li(7) and one V(3) atom. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Li(7), and one V(1) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Li(7), and one V(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(2), one Li(8), and one V(2) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Li(5), and one V(4) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Li(8), and one V(2) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Li(3), one Li(5), and one V(4) atom. In the seventh F site, F(7) is bonded to one Li(2), one Li(4), one Li(6), and one V(3) atom to form distorted edge-sharing FLi3V trigonal pyramids. In the eighth F site, F(8) is bonded in a trigonal non-coplanar geometry to one Li(3), one Li(5), and one V(3) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Li(4), one Li(6), and one V(3) atom. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Li(4), one Li(6), and one V(4) atom. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Li(1), one Li(5), and one V(2) atom. In the twelfth F site, F(12) is bonded to one Li(6), one Li(7), one V(1), and one V(3) atom to form distorted edge-sharing FLi2V2 trigonal pyramids. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Li(8) and one V(4) atom. In the fourteenth F site, F(14) is bonded in a trigonal planar geometry to one Li(1), one Li(7), and one V(2) atom. In the fifteenth F site, F(15) is bonded in a distorted T-shaped geometry to one Li(6), one Li(7), and one V(1) atom. In the sixteenth F site, F(16) is bonded in a trigonal non-coplanar geometry to one Li(2), one Li(8), and one V(1) atom. is represented by the CIF file [CIF]
data_Li2VOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.048
_cell_length_b   7.220
_cell_length_c   10.346
_cell_angle_alpha   108.975
_cell_angle_beta   89.783
_cell_angle_gamma   91.135
_symmetry_Int_Tables_number   1
_cell_volume   356.524
_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  0.493  0.885  0.138  1.0
  Li  Li1  1  0.033  0.852  0.660  1.0
  Li  Li2  1  0.036  0.629  0.313  1.0
  Li  Li3  1  0.468  0.640  0.813  1.0
  Li  Li4  1  0.477  0.368  0.157  1.0
  Li  Li5  1  0.016  0.383  0.659  1.0
  Li  Li6  1  0.997  0.116  0.362  1.0
  Li  Li7  1  0.510  0.118  0.854  1.0
  V  V8  1  0.518  0.973  0.499  1.0
  V  V9  1  0.013  0.034  0.005  1.0
  V  V10  1  0.536  0.484  0.489  1.0
  V  V11  1  0.969  0.534  0.001  1.0
  O  O12  1  0.650  0.755  0.500  1.0
  O  O13  1  0.840  0.751  1.000  1.0
  O  O14  1  0.153  0.253  0.010  1.0
  O  O15  1  0.789  0.367  0.401  1.0
  F  F16  1  0.651  0.966  0.322  1.0
  F  F17  1  0.177  0.878  0.415  1.0
  F  F18  1  0.840  0.964  0.827  1.0
  F  F19  1  0.274  0.638  0.117  1.0
  F  F20  1  0.316  0.881  0.915  1.0
  F  F21  1  0.795  0.525  0.166  1.0
  F  F22  1  0.227  0.611  0.615  1.0
  F  F23  1  0.307  0.464  0.332  1.0
  F  F24  1  0.703  0.535  0.670  1.0
  F  F25  1  0.185  0.473  0.837  1.0
  F  F26  1  0.673  0.121  0.088  1.0
  F  F27  1  0.337  0.240  0.503  1.0
  F  F28  1  0.705  0.358  0.895  1.0
  F  F29  1  0.155  0.034  0.180  1.0
  F  F30  1  0.815  0.137  0.580  1.0
  F  F31  1  0.341  0.032  0.676  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(2), one F(1), one F(11), one F(14), one F(4), and one F(5) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one F(16), 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(2), one F(4), one F(6), and one F(8) atom. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(2), one F(10), one F(5), one F(7), and one F(9) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(3), one F(11), one F(4), one F(6), and one F(8) atom. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one F(10), one F(12), one F(15), one F(7), and one F(9) atom. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(4), one F(1), one F(12), one F(14), one F(15), and one F(2) atom. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(3), one F(13), one F(16), one F(3), and one F(5) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(1), one F(12), one F(15), one F(16), and one F(2) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. In the second V site, V(2) is bonded to one O(2), one O(3), one F(11), one F(14), one F(3), and one F(5) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. In the third V site, V(3) is bonded to one O(1), one O(4), one F(12), one F(7), one F(8), and one F(9) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. In the fourth V site, V(4) is bonded to one O(2), one O(3), one F(10), one F(13), one F(4), and one F(6) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one V(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one V(2), and one V(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(5), one Li(8), one V(2), and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Li(7) and one V(3) atom. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Li(7), and one V(1) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Li(7), and one V(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(2), one Li(8), and one V(2) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Li(5), and one V(4) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Li(8), and one V(2) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Li(3), one Li(5), and one V(4) atom. In the seventh F site, F(7) is bonded to one Li(2), one Li(4), one Li(6), and one V(3) atom to form distorted edge-sharing FLi3V trigonal pyramids. In the eighth F site, F(8) is bonded in a trigonal non-coplanar geometry to one Li(3), one Li(5), and one V(3) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Li(4), one Li(6), and one V(3) atom. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one Li(4), one Li(6), and one V(4) atom. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Li(1), one Li(5), and one V(2) atom. In the twelfth F site, F(12) is bonded to one Li(6), one Li(7), one V(1), and one V(3) atom to form distorted edge-sharing FLi2V2 trigonal pyramids. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Li(8) and one V(4) atom. In the fourteenth F site, F(14) is bonded in a trigonal planar geometry to one Li(1), one Li(7), and one V(2) atom. In the fifteenth F site, F(15) is bonded in a distorted T-shaped geometry to one Li(6), one Li(7), and one V(1) atom. In the sixteenth F site, F(16) is bonded in a trigonal non-coplanar geometry to one Li(2), one Li(8), and one V(1) atom. is represented by the CIF file [CIF]
data_Li2VOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.048
_cell_length_b   7.220
_cell_length_c   10.346
_cell_angle_alpha   108.975
_cell_angle_beta   89.783
_cell_angle_gamma   91.135
_symmetry_Int_Tables_number   1
_cell_volume   356.524
_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  0.493  0.885  0.138  1.0
  Li  Li1  1  0.033  0.852  0.660  1.0
  Li  Li2  1  0.036  0.629  0.313  1.0
  Li  Li3  1  0.468  0.640  0.813  1.0
  Li  Li4  1  0.477  0.368  0.157  1.0
  Li  Li5  1  0.016  0.383  0.659  1.0
  Li  Li6  1  0.997  0.116  0.362  1.0
  Li  Li7  1  0.510  0.118  0.854  1.0
  V  V8  1  0.518  0.973  0.499  1.0
  V  V9  1  0.013  0.034  0.005  1.0
  V  V10  1  0.536  0.484  0.489  1.0
  V  V11  1  0.969  0.534  0.001  1.0
  O  O12  1  0.650  0.755  0.500  1.0
  O  O13  1  0.840  0.751  1.000  1.0
  O  O14  1  0.153  0.253  0.010  1.0
  O  O15  1  0.789  0.367  0.401  1.0
  F  F16  1  0.651  0.966  0.322  1.0
  F  F17  1  0.177  0.878  0.415  1.0
  F  F18  1  0.840  0.964  0.827  1.0
  F  F19  1  0.274  0.638  0.117  1.0
  F  F20  1  0.316  0.881  0.915  1.0
  F  F21  1  0.795  0.525  0.166  1.0
  F  F22  1  0.227  0.611  0.615  1.0
  F  F23  1  0.307  0.464  0.332  1.0
  F  F24  1  0.703  0.535  0.670  1.0
  F  F25  1  0.185  0.473  0.837  1.0
  F  F26  1  0.673  0.121  0.088  1.0
  F  F27  1  0.337  0.240  0.503  1.0
  F  F28  1  0.705  0.358  0.895  1.0
  F  F29  1  0.155  0.034  0.180  1.0
  F  F30  1  0.815  0.137  0.580  1.0
  F  F31  1  0.341  0.032  0.676  1.0
[/CIF]
.