The material 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 5-coordinate geometry to one O(2), one F(14), one F(15), one F(16), and one F(7) atom. In the second Li site, Li(2) is bonded to one O(1), one F(11), one F(15), one F(5), and one F(7) atom to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one V(3)F5 square pyramid,  a cornercorner with one V(2)O2F3 trigonal bipyramid,  a cornercorner with one V(4)OF4 trigonal bipyramid,  a cornercorner with one Li(5)F4 trigonal pyramid,  a cornercorner with one Li(8)F4 trigonal pyramid, and  an edgeedge with one V(3)F5 square pyramid. In the third Li site, Li(3) is bonded to one O(3), one F(1), one F(12), one F(3), and one F(9) atom to form LiOF4 trigonal bipyramids that share  a cornercorner with one V(3)F5 square pyramid,  a cornercorner with one V(1)OF4 trigonal bipyramid,  a cornercorner with one V(4)OF4 trigonal bipyramid,  a cornercorner with one Li(5)F4 trigonal pyramid,  a cornercorner with one Li(8)F4 trigonal pyramid, and  an edgeedge with one V(4)OF4 trigonal bipyramid. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one F(1), one F(10), one F(4), and one F(8) atom. In the fifth Li site, Li(5) is bonded to one F(12), one F(15), one F(16), and one F(6) atom to form distorted LiF4 trigonal pyramids that share  a cornercorner with one V(3)F5 square pyramid,  a cornercorner with one Li(2)OF4 trigonal bipyramid,  a cornercorner with one Li(3)OF4 trigonal bipyramid,  a cornercorner with one V(4)OF4 trigonal bipyramid, corners with two equivalent V(1)OF4 trigonal bipyramids, and  an edgeedge with one Li(6)OF4 trigonal bipyramid. In the sixth Li site, Li(6) is bonded to one O(4), one F(14), one F(16), one F(4), and one F(6) atom to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one V(2)O2F3 trigonal bipyramid,  a cornercorner with one V(1)OF4 trigonal bipyramid,  a cornercorner with one V(4)OF4 trigonal bipyramid,  an edgeedge with one V(1)OF4 trigonal bipyramid, and  an edgeedge with one Li(5)F4 trigonal pyramid. In the seventh Li site, Li(7) is bonded to one O(2), one F(10), one F(13), one F(2), and one F(8) atom to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one V(3)F5 square pyramid,  a cornercorner with one V(2)O2F3 trigonal bipyramid,  a cornercorner with one V(1)OF4 trigonal bipyramid,  an edgeedge with one V(2)O2F3 trigonal bipyramid, and  an edgeedge with one Li(8)F4 trigonal pyramid. In the eighth Li site, Li(8) is bonded to one F(11), one F(2), one F(8), and one F(9) atom to form LiF4 trigonal pyramids that share  a cornercorner with one V(3)F5 square pyramid,  a cornercorner with one Li(2)OF4 trigonal bipyramid,  a cornercorner with one Li(3)OF4 trigonal bipyramid,  a cornercorner with one V(4)OF4 trigonal bipyramid, corners with two equivalent V(2)O2F3 trigonal bipyramids, and  an edgeedge with one Li(7)OF4 trigonal bipyramid. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one F(10), one F(16), one F(4), and one F(6) atom to form distorted VOF4 trigonal bipyramids that share  a cornercorner with one Li(3)OF4 trigonal bipyramid,  a cornercorner with one Li(6)OF4 trigonal bipyramid,  a cornercorner with one Li(7)OF4 trigonal bipyramid, corners with two equivalent Li(5)F4 trigonal pyramids, and  an edgeedge with one Li(6)OF4 trigonal bipyramid. In the second V site, V(2) is bonded to one O(1), one O(2), one F(14), one F(2), and one F(8) atom to form VO2F3 trigonal bipyramids that share  a cornercorner with one Li(2)OF4 trigonal bipyramid,  a cornercorner with one Li(6)OF4 trigonal bipyramid,  a cornercorner with one Li(7)OF4 trigonal bipyramid, corners with two equivalent Li(8)F4 trigonal pyramids, and  an edgeedge with one Li(7)OF4 trigonal bipyramid. In the third V site, V(3) is bonded to one F(11), one F(13), one F(15), one F(3), and one F(7) atom to form VF5 square pyramids that share  a cornercorner with one Li(2)OF4 trigonal bipyramid,  a cornercorner with one Li(3)OF4 trigonal bipyramid,  a cornercorner with one Li(7)OF4 trigonal bipyramid,  a cornercorner with one Li(5)F4 trigonal pyramid,  a cornercorner with one Li(8)F4 trigonal pyramid, and  an edgeedge with one Li(2)OF4 trigonal bipyramid. In the fourth V site, V(4) is bonded to one O(4), one F(1), one F(12), one F(5), and one F(9) atom to form distorted VOF4 trigonal bipyramids that share  a cornercorner with one Li(2)OF4 trigonal bipyramid,  a cornercorner with one Li(3)OF4 trigonal bipyramid,  a cornercorner with one Li(6)OF4 trigonal bipyramid,  a cornercorner with one Li(5)F4 trigonal pyramid,  a cornercorner with one Li(8)F4 trigonal pyramid, and  an edgeedge with one Li(3)OF4 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Li(2) and one V(2) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(7), and one V(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Li(3) and one V(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(6) and one V(4) atom. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Li(4), and one V(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(7), one Li(8), and one V(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(3) and one V(3) atom. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Li(4), one Li(6), and one V(1) atom. In the fifth F site, F(5) is bonded in a distorted bent 120 degrees geometry to one Li(2) and one V(4) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Li(5), one Li(6), and one V(1) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one V(3) atom. In the eighth F site, F(8) is bonded in a trigonal pyramidal geometry to one Li(4), one Li(7), one Li(8), and one V(2) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Li(3), one Li(8), and one V(4) atom. In the tenth F site, F(10) is bonded in a distorted T-shaped geometry to one Li(4), one Li(7), and one V(1) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(8), and one V(3) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(5), and one V(4) atom. In the thirteenth F site, F(13) is bonded in a distorted bent 120 degrees geometry to one Li(7) and one V(3) atom. In the fourteenth F site, F(14) is bonded in a distorted T-shaped geometry to one Li(1), one Li(6), and one V(2) atom. In the fifteenth F site, F(15) is bonded to one Li(1), one Li(2), one Li(5), and one V(3) atom to form distorted edge-sharing FLi3V trigonal pyramids. In the sixteenth F site, F(16) is bonded to one Li(1), one Li(5), one Li(6), and one V(1) atom to form distorted edge-sharing FLi3V trigonal pyramids. is represented by the CIF file [CIF]
data_Li2VOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.252
_cell_length_b   8.579
_cell_length_c   9.390
_cell_angle_alpha   90.655
_cell_angle_beta   93.326
_cell_angle_gamma   92.165
_symmetry_Int_Tables_number   1
_cell_volume   422.050
_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  0.782  0.609  0.321  1.0
  Li  Li1  1  0.673  0.610  0.983  1.0
  Li  Li2  1  0.823  0.123  0.009  1.0
  Li  Li3  1  0.744  0.104  0.664  1.0
  Li  Li4  1  0.196  0.437  0.182  1.0
  Li  Li5  1  0.182  0.381  0.510  1.0
  Li  Li6  1  0.339  0.872  0.493  1.0
  Li  Li7  1  0.319  0.910  0.807  1.0
  V  V8  1  0.676  0.218  0.354  1.0
  V  V9  1  0.813  0.712  0.630  1.0
  V  V10  1  0.234  0.801  0.129  1.0
  V  V11  1  0.285  0.281  0.871  1.0
  O  O12  1  0.764  0.610  0.774  1.0
  O  O13  1  0.591  0.677  0.497  1.0
  O  O14  1  0.676  0.105  0.210  1.0
  O  O15  1  0.329  0.355  0.712  1.0
  F  F16  1  0.995  0.139  0.814  1.0
  F  F17  1  0.085  0.872  0.641  1.0
  F  F18  1  0.003  0.932  0.030  1.0
  F  F19  1  0.922  0.198  0.511  1.0
  F  F20  1  0.527  0.400  0.996  1.0
  F  F21  1  0.416  0.370  0.344  1.0
  F  F22  1  0.513  0.673  0.196  1.0
  F  F23  1  0.615  0.896  0.685  1.0
  F  F24  1  0.490  0.101  0.892  1.0
  F  F25  1  0.462  0.099  0.478  1.0
  F  F26  1  0.385  0.761  0.946  1.0
  F  F27  1  0.067  0.308  0.029  1.0
  F  F28  1  0.134  0.839  0.319  1.0
  F  F29  1  0.057  0.594  0.542  1.0
  F  F30  1  0.998  0.617  0.118  1.0
  F  F31  1  0.908  0.396  0.315  1.0
[/CIF]
.
The material 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 5-coordinate geometry to one O(2), one F(14), one F(15), one F(16), and one F(7) atom. In the second Li site, Li(2) is bonded to one O(1), one F(11), one F(15), one F(5), and one F(7) atom to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one V(3)F5 square pyramid,  a cornercorner with one V(2)O2F3 trigonal bipyramid,  a cornercorner with one V(4)OF4 trigonal bipyramid,  a cornercorner with one Li(5)F4 trigonal pyramid,  a cornercorner with one Li(8)F4 trigonal pyramid, and  an edgeedge with one V(3)F5 square pyramid. In the third Li site, Li(3) is bonded to one O(3), one F(1), one F(12), one F(3), and one F(9) atom to form LiOF4 trigonal bipyramids that share  a cornercorner with one V(3)F5 square pyramid,  a cornercorner with one V(1)OF4 trigonal bipyramid,  a cornercorner with one V(4)OF4 trigonal bipyramid,  a cornercorner with one Li(5)F4 trigonal pyramid,  a cornercorner with one Li(8)F4 trigonal pyramid, and  an edgeedge with one V(4)OF4 trigonal bipyramid. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one F(1), one F(10), one F(4), and one F(8) atom. In the fifth Li site, Li(5) is bonded to one F(12), one F(15), one F(16), and one F(6) atom to form distorted LiF4 trigonal pyramids that share  a cornercorner with one V(3)F5 square pyramid,  a cornercorner with one Li(2)OF4 trigonal bipyramid,  a cornercorner with one Li(3)OF4 trigonal bipyramid,  a cornercorner with one V(4)OF4 trigonal bipyramid, corners with two equivalent V(1)OF4 trigonal bipyramids, and  an edgeedge with one Li(6)OF4 trigonal bipyramid. In the sixth Li site, Li(6) is bonded to one O(4), one F(14), one F(16), one F(4), and one F(6) atom to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one V(2)O2F3 trigonal bipyramid,  a cornercorner with one V(1)OF4 trigonal bipyramid,  a cornercorner with one V(4)OF4 trigonal bipyramid,  an edgeedge with one V(1)OF4 trigonal bipyramid, and  an edgeedge with one Li(5)F4 trigonal pyramid. In the seventh Li site, Li(7) is bonded to one O(2), one F(10), one F(13), one F(2), and one F(8) atom to form distorted LiOF4 trigonal bipyramids that share  a cornercorner with one V(3)F5 square pyramid,  a cornercorner with one V(2)O2F3 trigonal bipyramid,  a cornercorner with one V(1)OF4 trigonal bipyramid,  an edgeedge with one V(2)O2F3 trigonal bipyramid, and  an edgeedge with one Li(8)F4 trigonal pyramid. In the eighth Li site, Li(8) is bonded to one F(11), one F(2), one F(8), and one F(9) atom to form LiF4 trigonal pyramids that share  a cornercorner with one V(3)F5 square pyramid,  a cornercorner with one Li(2)OF4 trigonal bipyramid,  a cornercorner with one Li(3)OF4 trigonal bipyramid,  a cornercorner with one V(4)OF4 trigonal bipyramid, corners with two equivalent V(2)O2F3 trigonal bipyramids, and  an edgeedge with one Li(7)OF4 trigonal bipyramid. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one F(10), one F(16), one F(4), and one F(6) atom to form distorted VOF4 trigonal bipyramids that share  a cornercorner with one Li(3)OF4 trigonal bipyramid,  a cornercorner with one Li(6)OF4 trigonal bipyramid,  a cornercorner with one Li(7)OF4 trigonal bipyramid, corners with two equivalent Li(5)F4 trigonal pyramids, and  an edgeedge with one Li(6)OF4 trigonal bipyramid. In the second V site, V(2) is bonded to one O(1), one O(2), one F(14), one F(2), and one F(8) atom to form VO2F3 trigonal bipyramids that share  a cornercorner with one Li(2)OF4 trigonal bipyramid,  a cornercorner with one Li(6)OF4 trigonal bipyramid,  a cornercorner with one Li(7)OF4 trigonal bipyramid, corners with two equivalent Li(8)F4 trigonal pyramids, and  an edgeedge with one Li(7)OF4 trigonal bipyramid. In the third V site, V(3) is bonded to one F(11), one F(13), one F(15), one F(3), and one F(7) atom to form VF5 square pyramids that share  a cornercorner with one Li(2)OF4 trigonal bipyramid,  a cornercorner with one Li(3)OF4 trigonal bipyramid,  a cornercorner with one Li(7)OF4 trigonal bipyramid,  a cornercorner with one Li(5)F4 trigonal pyramid,  a cornercorner with one Li(8)F4 trigonal pyramid, and  an edgeedge with one Li(2)OF4 trigonal bipyramid. In the fourth V site, V(4) is bonded to one O(4), one F(1), one F(12), one F(5), and one F(9) atom to form distorted VOF4 trigonal bipyramids that share  a cornercorner with one Li(2)OF4 trigonal bipyramid,  a cornercorner with one Li(3)OF4 trigonal bipyramid,  a cornercorner with one Li(6)OF4 trigonal bipyramid,  a cornercorner with one Li(5)F4 trigonal pyramid,  a cornercorner with one Li(8)F4 trigonal pyramid, and  an edgeedge with one Li(3)OF4 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Li(2) and one V(2) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(7), and one V(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Li(3) and one V(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(6) and one V(4) atom. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Li(4), and one V(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(7), one Li(8), and one V(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(3) and one V(3) atom. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Li(4), one Li(6), and one V(1) atom. In the fifth F site, F(5) is bonded in a distorted bent 120 degrees geometry to one Li(2) and one V(4) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Li(5), one Li(6), and one V(1) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one V(3) atom. In the eighth F site, F(8) is bonded in a trigonal pyramidal geometry to one Li(4), one Li(7), one Li(8), and one V(2) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Li(3), one Li(8), and one V(4) atom. In the tenth F site, F(10) is bonded in a distorted T-shaped geometry to one Li(4), one Li(7), and one V(1) atom. In the eleventh F site, F(11) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(8), and one V(3) atom. In the twelfth F site, F(12) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(5), and one V(4) atom. In the thirteenth F site, F(13) is bonded in a distorted bent 120 degrees geometry to one Li(7) and one V(3) atom. In the fourteenth F site, F(14) is bonded in a distorted T-shaped geometry to one Li(1), one Li(6), and one V(2) atom. In the fifteenth F site, F(15) is bonded to one Li(1), one Li(2), one Li(5), and one V(3) atom to form distorted edge-sharing FLi3V trigonal pyramids. In the sixteenth F site, F(16) is bonded to one Li(1), one Li(5), one Li(6), and one V(1) atom to form distorted edge-sharing FLi3V trigonal pyramids. is represented by the CIF file [CIF]
data_Li2VOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.252
_cell_length_b   8.579
_cell_length_c   9.390
_cell_angle_alpha   90.655
_cell_angle_beta   93.326
_cell_angle_gamma   92.165
_symmetry_Int_Tables_number   1
_cell_volume   422.050
_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  0.782  0.609  0.321  1.0
  Li  Li1  1  0.673  0.610  0.983  1.0
  Li  Li2  1  0.823  0.123  0.009  1.0
  Li  Li3  1  0.744  0.104  0.664  1.0
  Li  Li4  1  0.196  0.437  0.182  1.0
  Li  Li5  1  0.182  0.381  0.510  1.0
  Li  Li6  1  0.339  0.872  0.493  1.0
  Li  Li7  1  0.319  0.910  0.807  1.0
  V  V8  1  0.676  0.218  0.354  1.0
  V  V9  1  0.813  0.712  0.630  1.0
  V  V10  1  0.234  0.801  0.129  1.0
  V  V11  1  0.285  0.281  0.871  1.0
  O  O12  1  0.764  0.610  0.774  1.0
  O  O13  1  0.591  0.677  0.497  1.0
  O  O14  1  0.676  0.105  0.210  1.0
  O  O15  1  0.329  0.355  0.712  1.0
  F  F16  1  0.995  0.139  0.814  1.0
  F  F17  1  0.085  0.872  0.641  1.0
  F  F18  1  0.003  0.932  0.030  1.0
  F  F19  1  0.922  0.198  0.511  1.0
  F  F20  1  0.527  0.400  0.996  1.0
  F  F21  1  0.416  0.370  0.344  1.0
  F  F22  1  0.513  0.673  0.196  1.0
  F  F23  1  0.615  0.896  0.685  1.0
  F  F24  1  0.490  0.101  0.892  1.0
  F  F25  1  0.462  0.099  0.478  1.0
  F  F26  1  0.385  0.761  0.946  1.0
  F  F27  1  0.067  0.308  0.029  1.0
  F  F28  1  0.134  0.839  0.319  1.0
  F  F29  1  0.057  0.594  0.542  1.0
  F  F30  1  0.998  0.617  0.118  1.0
  F  F31  1  0.908  0.396  0.315  1.0
[/CIF]
.