The crystal structure described by Li2VOF3 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(2), one F(4), and one F(5) atom to form distorted LiF4 tetrahedra that share  a cornercorner with one V(1)O2F4 octahedra, corners with two equivalent V(2)O2F4 octahedra, corners with two equivalent Li(3)F4 tetrahedra, and  an edgeedge with one V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 50-72°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one F(1), one F(2), and one F(6) atom. In the third Li site, Li(3) is bonded to one F(1), one F(3), one F(5), and one F(6) atom to form distorted LiF4 tetrahedra that share  a cornercorner with one V(2)O2F4 octahedra, corners with two equivalent V(1)O2F4 octahedra, corners with two equivalent Li(1)F4 tetrahedra, and  an edgeedge with one V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 51-71°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one F(2), one F(5), and one F(6) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one F(2), one F(3), one F(4), and one F(5) atom to form VO2F4 octahedra that share corners with four equivalent V(2)O2F4 octahedra,  a cornercorner with one Li(1)F4 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra, and  an edgeedge with one Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-44°. In the second V site, V(2) is bonded to one O(1), one O(2), one F(1), one F(3), one F(4), and one F(6) atom to form VO2F4 octahedra that share corners with four equivalent V(1)O2F4 octahedra,  a cornercorner with one Li(3)F4 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra, and  an edgeedge with one Li(3)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-44°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a see-saw-like geometry to one Li(2), one Li(4), one V(1), and one V(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one V(2) atom. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(4), and one V(1) atom to form corner-sharing FLi3V tetrahedra. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(3), one V(1), and one V(2) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one V(2) atom. In the fifth F site, F(5) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Li(4), and one V(1) atom. In the sixth F site, F(6) is bonded to one Li(2), one Li(3), one Li(4), and one V(2) atom to form distorted corner-sharing FLi3V tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.880
_cell_length_b   7.470
_cell_length_c   5.485
_cell_angle_alpha   42.710
_cell_angle_beta   69.983
_cell_angle_gamma   100.664
_symmetry_Int_Tables_number   1
_cell_volume   149.898
_cell_formula_units_Z   2
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  0.414  0.423  0.710  1.0
  Li  Li1  1  0.691  0.163  0.913  1.0
  Li  Li2  1  0.410  0.882  0.757  1.0
  Li  Li3  1  0.689  0.696  0.874  1.0
  V  V4  1  0.991  0.006  0.982  1.0
  V  V5  1  0.991  0.455  0.034  1.0
  O  O6  1  0.868  0.065  0.707  1.0
  O  O7  1  0.871  0.153  0.116  1.0
  F  F8  1  0.357  0.699  0.619  1.0
  F  F9  1  0.652  0.482  0.726  1.0
  F  F10  1  0.111  0.793  0.945  1.0
  F  F11  1  0.113  0.910  0.325  1.0
  F  F12  1  0.357  0.494  0.321  1.0
  F  F13  1  0.653  0.303  0.402  1.0
[/CIF]
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The crystal structure described by Li2VOF3 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(2), one F(4), and one F(5) atom to form distorted LiF4 tetrahedra that share  a cornercorner with one V(1)O2F4 octahedra, corners with two equivalent V(2)O2F4 octahedra, corners with two equivalent Li(3)F4 tetrahedra, and  an edgeedge with one V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 50-72°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one F(1), one F(2), and one F(6) atom. In the third Li site, Li(3) is bonded to one F(1), one F(3), one F(5), and one F(6) atom to form distorted LiF4 tetrahedra that share  a cornercorner with one V(2)O2F4 octahedra, corners with two equivalent V(1)O2F4 octahedra, corners with two equivalent Li(1)F4 tetrahedra, and  an edgeedge with one V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 51-71°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one F(2), one F(5), and one F(6) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one F(2), one F(3), one F(4), and one F(5) atom to form VO2F4 octahedra that share corners with four equivalent V(2)O2F4 octahedra,  a cornercorner with one Li(1)F4 tetrahedra, corners with two equivalent Li(3)F4 tetrahedra, and  an edgeedge with one Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-44°. In the second V site, V(2) is bonded to one O(1), one O(2), one F(1), one F(3), one F(4), and one F(6) atom to form VO2F4 octahedra that share corners with four equivalent V(1)O2F4 octahedra,  a cornercorner with one Li(3)F4 tetrahedra, corners with two equivalent Li(1)F4 tetrahedra, and  an edgeedge with one Li(3)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-44°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a see-saw-like geometry to one Li(2), one Li(4), one V(1), and one V(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one V(2) atom. In the second F site, F(2) is bonded to one Li(1), one Li(2), one Li(4), and one V(1) atom to form corner-sharing FLi3V tetrahedra. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(3), one V(1), and one V(2) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one V(2) atom. In the fifth F site, F(5) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Li(4), and one V(1) atom. In the sixth F site, F(6) is bonded to one Li(2), one Li(3), one Li(4), and one V(2) atom to form distorted corner-sharing FLi3V tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.880
_cell_length_b   7.470
_cell_length_c   5.485
_cell_angle_alpha   42.710
_cell_angle_beta   69.983
_cell_angle_gamma   100.664
_symmetry_Int_Tables_number   1
_cell_volume   149.898
_cell_formula_units_Z   2
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  0.414  0.423  0.710  1.0
  Li  Li1  1  0.691  0.163  0.913  1.0
  Li  Li2  1  0.410  0.882  0.757  1.0
  Li  Li3  1  0.689  0.696  0.874  1.0
  V  V4  1  0.991  0.006  0.982  1.0
  V  V5  1  0.991  0.455  0.034  1.0
  O  O6  1  0.868  0.065  0.707  1.0
  O  O7  1  0.871  0.153  0.116  1.0
  F  F8  1  0.357  0.699  0.619  1.0
  F  F9  1  0.652  0.482  0.726  1.0
  F  F10  1  0.111  0.793  0.945  1.0
  F  F11  1  0.113  0.910  0.325  1.0
  F  F12  1  0.357  0.494  0.321  1.0
  F  F13  1  0.653  0.303  0.402  1.0
[/CIF]
.