The structure described by LiVOF3 crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(1), one F(5), and one F(6) atom to form distorted LiOF3 trigonal pyramids that share  a cornercorner with one Li(3)F6 octahedra,  a cornercorner with one Li(2)O2F4 octahedra,  a cornercorner with one V(3)O2F4 octahedra, and corners with three equivalent V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 37-68°. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form LiO2F4 octahedra that share corners with two equivalent V(3)O2F4 octahedra, corners with two equivalent Li(1)OF3 trigonal pyramids, and edges with two equivalent V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 31°. In the third Li site, Li(3) is bonded to two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms to form distorted LiF6 octahedra that share corners with two equivalent Li(1)OF3 trigonal pyramids, edges with two equivalent V(2)O2F4 octahedra, and edges with two equivalent V(3)O2F4 octahedra. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent F(2), and two equivalent F(4) atoms. 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 three equivalent Li(1)OF3 trigonal pyramids,  an edgeedge with one Li(3)F6 octahedra,  an edgeedge with one Li(2)O2F4 octahedra, and  an edgeedge with one V(3)O2F4 octahedra. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent F(3), and two equivalent F(5) atoms to form distorted VO2F4 octahedra that share corners with two equivalent Li(2)O2F4 octahedra, corners with two equivalent Li(1)OF3 trigonal pyramids, edges with two equivalent Li(3)F6 octahedra, and edges with two equivalent V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 31°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(2), and one V(3) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(2), and one V(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(2) and one V(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one V(3) atom. In the fourth F site, F(4) is bonded in a distorted water-like geometry to one Li(3), one V(1), and one V(2) atom. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one V(3) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Li(1) and one V(2) atom. is represented by the CIF file [CIF]
data_LiVOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.879
_cell_length_b   6.879
_cell_length_c   6.392
_cell_angle_alpha   89.500
_cell_angle_beta   89.500
_cell_angle_gamma   113.655
_symmetry_Int_Tables_number   1
_cell_volume   277.004
_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  0.763  0.843  0.727  1.0
  Li  Li1  1  0.190  0.810  0.500  1.0
  Li  Li2  1  0.727  0.273  0.000  1.0
  Li  Li3  1  0.157  0.237  0.273  1.0
  V  V4  1  0.341  0.659  0.000  1.0
  V  V5  1  0.309  0.200  0.765  1.0
  V  V6  1  0.800  0.691  0.235  1.0
  V  V7  1  0.711  0.289  0.500  1.0
  O  O8  1  0.628  0.744  0.031  1.0
  O  O9  1  0.256  0.372  0.969  1.0
  O  O10  1  0.436  0.106  0.548  1.0
  O  O11  1  0.894  0.564  0.452  1.0
  F  F12  1  0.062  0.947  0.739  1.0
  F  F13  1  0.310  0.710  0.729  1.0
  F  F14  1  0.610  0.423  0.752  1.0
  F  F15  1  0.053  0.938  0.261  1.0
  F  F16  1  0.415  0.050  0.970  1.0
  F  F17  1  0.805  0.168  0.727  1.0
  F  F18  1  0.832  0.195  0.273  1.0
  F  F19  1  0.212  0.331  0.550  1.0
  F  F20  1  0.950  0.585  0.030  1.0
  F  F21  1  0.577  0.390  0.248  1.0
  F  F22  1  0.669  0.788  0.450  1.0
  F  F23  1  0.290  0.690  0.271  1.0
[/CIF]
.
The structure described by LiVOF3 crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(1), one F(5), and one F(6) atom to form distorted LiOF3 trigonal pyramids that share  a cornercorner with one Li(3)F6 octahedra,  a cornercorner with one Li(2)O2F4 octahedra,  a cornercorner with one V(3)O2F4 octahedra, and corners with three equivalent V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 37-68°. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(2) atoms to form LiO2F4 octahedra that share corners with two equivalent V(3)O2F4 octahedra, corners with two equivalent Li(1)OF3 trigonal pyramids, and edges with two equivalent V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 31°. In the third Li site, Li(3) is bonded to two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms to form distorted LiF6 octahedra that share corners with two equivalent Li(1)OF3 trigonal pyramids, edges with two equivalent V(2)O2F4 octahedra, and edges with two equivalent V(3)O2F4 octahedra. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent F(2), and two equivalent F(4) atoms. 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 three equivalent Li(1)OF3 trigonal pyramids,  an edgeedge with one Li(3)F6 octahedra,  an edgeedge with one Li(2)O2F4 octahedra, and  an edgeedge with one V(3)O2F4 octahedra. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent F(3), and two equivalent F(5) atoms to form distorted VO2F4 octahedra that share corners with two equivalent Li(2)O2F4 octahedra, corners with two equivalent Li(1)OF3 trigonal pyramids, edges with two equivalent Li(3)F6 octahedra, and edges with two equivalent V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 31°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(2), and one V(3) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(2), and one V(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(2) and one V(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one V(3) atom. In the fourth F site, F(4) is bonded in a distorted water-like geometry to one Li(3), one V(1), and one V(2) atom. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one V(3) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Li(1) and one V(2) atom. is represented by the CIF file [CIF]
data_LiVOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.879
_cell_length_b   6.879
_cell_length_c   6.392
_cell_angle_alpha   89.500
_cell_angle_beta   89.500
_cell_angle_gamma   113.655
_symmetry_Int_Tables_number   1
_cell_volume   277.004
_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  0.763  0.843  0.727  1.0
  Li  Li1  1  0.190  0.810  0.500  1.0
  Li  Li2  1  0.727  0.273  0.000  1.0
  Li  Li3  1  0.157  0.237  0.273  1.0
  V  V4  1  0.341  0.659  0.000  1.0
  V  V5  1  0.309  0.200  0.765  1.0
  V  V6  1  0.800  0.691  0.235  1.0
  V  V7  1  0.711  0.289  0.500  1.0
  O  O8  1  0.628  0.744  0.031  1.0
  O  O9  1  0.256  0.372  0.969  1.0
  O  O10  1  0.436  0.106  0.548  1.0
  O  O11  1  0.894  0.564  0.452  1.0
  F  F12  1  0.062  0.947  0.739  1.0
  F  F13  1  0.310  0.710  0.729  1.0
  F  F14  1  0.610  0.423  0.752  1.0
  F  F15  1  0.053  0.938  0.261  1.0
  F  F16  1  0.415  0.050  0.970  1.0
  F  F17  1  0.805  0.168  0.727  1.0
  F  F18  1  0.832  0.195  0.273  1.0
  F  F19  1  0.212  0.331  0.550  1.0
  F  F20  1  0.950  0.585  0.030  1.0
  F  F21  1  0.577  0.390  0.248  1.0
  F  F22  1  0.669  0.788  0.450  1.0
  F  F23  1  0.290  0.690  0.271  1.0
[/CIF]
.