The compound described by Li2VOF3 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four equivalent F(2) atoms to form LiO2F4 octahedra that share corners with six equivalent Li(3)OF3 tetrahedra, edges with two equivalent Li(2)F6 octahedra, and edges with four equivalent V(1)O2F4 octahedra. In the second Li site, Li(2) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form LiF6 octahedra that share corners with six equivalent Li(3)OF3 tetrahedra, edges with two equivalent Li(1)O2F4 octahedra, and edges with four equivalent V(1)O2F4 octahedra. In the third Li site, Li(3) is bonded to one O(1), one F(1), and two equivalent F(2) atoms to form LiOF3 tetrahedra that share corners with three equivalent Li(2)F6 octahedra, corners with three equivalent Li(1)O2F4 octahedra, and corners with six equivalent V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. V(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form VO2F4 octahedra that share corners with six equivalent Li(3)OF3 tetrahedra, edges with two equivalent Li(2)F6 octahedra, edges with two equivalent Li(1)O2F4 octahedra, and edges with two equivalent V(1)O2F4 octahedra. O(1) is bonded to one Li(1), one Li(3), and two equivalent V(1) atoms to form distorted corner-sharing OLi2V2 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.972
_cell_length_b   5.976
_cell_length_c   5.975
_cell_angle_alpha   61.111
_cell_angle_beta   60.853
_cell_angle_gamma   60.853
_symmetry_Int_Tables_number   1
_cell_volume   153.980
_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
  F  F0  1  0.251  0.254  0.254  1.0
  F  F1  1  0.749  0.746  0.746  1.0
  F  F2  1  0.257  0.250  0.725  1.0
  F  F3  1  0.257  0.725  0.250  1.0
  F  F4  1  0.743  0.275  0.750  1.0
  F  F5  1  0.743  0.750  0.275  1.0
  Li  Li6  1  0.500  0.500  0.500  1.0
  Li  Li7  1  1.000  0.500  0.500  1.0
  Li  Li8  1  0.905  0.874  0.874  1.0
  Li  Li9  1  0.095  0.126  0.126  1.0
  O  O10  1  0.699  0.255  0.255  1.0
  O  O11  1  0.301  0.745  0.745  1.0
  V  V12  1  0.500  0.500  0.000  1.0
  V  V13  1  0.500  1.000  0.500  1.0
[/CIF]
.
The compound described by Li2VOF3 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four equivalent F(2) atoms to form LiO2F4 octahedra that share corners with six equivalent Li(3)OF3 tetrahedra, edges with two equivalent Li(2)F6 octahedra, and edges with four equivalent V(1)O2F4 octahedra. In the second Li site, Li(2) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form LiF6 octahedra that share corners with six equivalent Li(3)OF3 tetrahedra, edges with two equivalent Li(1)O2F4 octahedra, and edges with four equivalent V(1)O2F4 octahedra. In the third Li site, Li(3) is bonded to one O(1), one F(1), and two equivalent F(2) atoms to form LiOF3 tetrahedra that share corners with three equivalent Li(2)F6 octahedra, corners with three equivalent Li(1)O2F4 octahedra, and corners with six equivalent V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. V(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form VO2F4 octahedra that share corners with six equivalent Li(3)OF3 tetrahedra, edges with two equivalent Li(2)F6 octahedra, edges with two equivalent Li(1)O2F4 octahedra, and edges with two equivalent V(1)O2F4 octahedra. O(1) is bonded to one Li(1), one Li(3), and two equivalent V(1) atoms to form distorted corner-sharing OLi2V2 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.972
_cell_length_b   5.976
_cell_length_c   5.975
_cell_angle_alpha   61.111
_cell_angle_beta   60.853
_cell_angle_gamma   60.853
_symmetry_Int_Tables_number   1
_cell_volume   153.980
_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
  F  F0  1  0.251  0.254  0.254  1.0
  F  F1  1  0.749  0.746  0.746  1.0
  F  F2  1  0.257  0.250  0.725  1.0
  F  F3  1  0.257  0.725  0.250  1.0
  F  F4  1  0.743  0.275  0.750  1.0
  F  F5  1  0.743  0.750  0.275  1.0
  Li  Li6  1  0.500  0.500  0.500  1.0
  Li  Li7  1  1.000  0.500  0.500  1.0
  Li  Li8  1  0.905  0.874  0.874  1.0
  Li  Li9  1  0.095  0.126  0.126  1.0
  O  O10  1  0.699  0.255  0.255  1.0
  O  O11  1  0.301  0.745  0.745  1.0
  V  V12  1  0.500  0.500  0.000  1.0
  V  V13  1  0.500  1.000  0.500  1.0
[/CIF]
.