The structure described by LiVOF3 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiOF5 octahedra that share corners with six equivalent V(1)O2F4 octahedra,  an edgeedge with one V(1)O2F4 octahedra, and edges with two equivalent Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. V(1) is bonded to two equivalent O(1), one F(2), one F(3), and two equivalent F(1) atoms to form VO2F4 octahedra that share corners with four equivalent V(1)O2F4 octahedra, corners with six equivalent Li(1)OF5 octahedra, and  an edgeedge with one Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-56°. O(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent V(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one V(1) atom. is represented by the CIF file [CIF]
data_LiVOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.508
_cell_length_b   11.840
_cell_length_c   4.796
_cell_angle_alpha   90.001
_cell_angle_beta   90.001
_cell_angle_gamma   90.486
_symmetry_Int_Tables_number   1
_cell_volume   255.969
_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  0.008  0.057  0.254  1.0
  Li  Li1  1  0.992  0.943  0.746  1.0
  Li  Li2  1  0.508  0.557  0.246  1.0
  Li  Li3  1  0.492  0.443  0.754  1.0
  V  V4  1  0.027  0.681  0.720  1.0
  V  V5  1  0.973  0.319  0.280  1.0
  V  V6  1  0.473  0.819  0.220  1.0
  V  V7  1  0.527  0.181  0.780  1.0
  O  O8  1  0.238  0.802  0.943  1.0
  O  O9  1  0.262  0.698  0.443  1.0
  O  O10  1  0.738  0.302  0.557  1.0
  O  O11  1  0.762  0.198  0.057  1.0
  F  F12  1  0.239  0.196  0.435  1.0
  F  F13  1  0.253  0.069  0.909  1.0
  F  F14  1  0.260  0.932  0.416  1.0
  F  F15  1  0.240  0.568  0.916  1.0
  F  F16  1  0.247  0.431  0.409  1.0
  F  F17  1  0.261  0.304  0.935  1.0
  F  F18  1  0.739  0.696  0.065  1.0
  F  F19  1  0.760  0.432  0.084  1.0
  F  F20  1  0.753  0.569  0.591  1.0
  F  F21  1  0.740  0.068  0.584  1.0
  F  F22  1  0.747  0.931  0.091  1.0
  F  F23  1  0.761  0.804  0.565  1.0
[/CIF]
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The structure described by LiVOF3 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiOF5 octahedra that share corners with six equivalent V(1)O2F4 octahedra,  an edgeedge with one V(1)O2F4 octahedra, and edges with two equivalent Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. V(1) is bonded to two equivalent O(1), one F(2), one F(3), and two equivalent F(1) atoms to form VO2F4 octahedra that share corners with four equivalent V(1)O2F4 octahedra, corners with six equivalent Li(1)OF5 octahedra, and  an edgeedge with one Li(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-56°. O(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent V(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one V(1) atom. is represented by the CIF file [CIF]
data_LiVOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.508
_cell_length_b   11.840
_cell_length_c   4.796
_cell_angle_alpha   90.001
_cell_angle_beta   90.001
_cell_angle_gamma   90.486
_symmetry_Int_Tables_number   1
_cell_volume   255.969
_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  0.008  0.057  0.254  1.0
  Li  Li1  1  0.992  0.943  0.746  1.0
  Li  Li2  1  0.508  0.557  0.246  1.0
  Li  Li3  1  0.492  0.443  0.754  1.0
  V  V4  1  0.027  0.681  0.720  1.0
  V  V5  1  0.973  0.319  0.280  1.0
  V  V6  1  0.473  0.819  0.220  1.0
  V  V7  1  0.527  0.181  0.780  1.0
  O  O8  1  0.238  0.802  0.943  1.0
  O  O9  1  0.262  0.698  0.443  1.0
  O  O10  1  0.738  0.302  0.557  1.0
  O  O11  1  0.762  0.198  0.057  1.0
  F  F12  1  0.239  0.196  0.435  1.0
  F  F13  1  0.253  0.069  0.909  1.0
  F  F14  1  0.260  0.932  0.416  1.0
  F  F15  1  0.240  0.568  0.916  1.0
  F  F16  1  0.247  0.431  0.409  1.0
  F  F17  1  0.261  0.304  0.935  1.0
  F  F18  1  0.739  0.696  0.065  1.0
  F  F19  1  0.760  0.432  0.084  1.0
  F  F20  1  0.753  0.569  0.591  1.0
  F  F21  1  0.740  0.068  0.584  1.0
  F  F22  1  0.747  0.931  0.091  1.0
  F  F23  1  0.761  0.804  0.565  1.0
[/CIF]
.