The material structure described by Li2V4O3F8 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form LiF4 tetrahedra that share corners with three equivalent V(1)O3F3 octahedra and corners with four equivalent V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 51-61°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), two equivalent O(2), one F(1), one F(2), and one F(4) atom to form distorted VO3F3 octahedra that share  a cornercorner with one V(2)O2F4 octahedra,  a cornercorner with one V(1)O3F3 octahedra, corners with three equivalent Li(1)F4 tetrahedra,  an edgeedge with one V(1)O3F3 octahedra, and edges with three equivalent V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 0-28°. In the second V site, V(2) is bonded to two equivalent O(2), one F(1), one F(2), one F(3), and one F(4) atom to form VO2F4 octahedra that share  a cornercorner with one V(1)O3F3 octahedra, corners with four equivalent Li(1)F4 tetrahedra,  an edgeedge with one V(2)O2F4 octahedra, and edges with three equivalent V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles are 28°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded to two equivalent V(1) and two equivalent V(2) atoms to form distorted edge-sharing OV4 trigonal pyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Li(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V4O3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.148
_cell_length_b   6.595
_cell_length_c   6.890
_cell_angle_alpha   107.942
_cell_angle_beta   105.380
_cell_angle_gamma   96.809
_symmetry_Int_Tables_number   1
_cell_volume   209.414
_cell_formula_units_Z   1
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  0.670  0.180  0.398  1.0
  Li  Li1  1  0.330  0.820  0.602  1.0
  V  V2  1  0.903  0.245  0.966  1.0
  V  V3  1  0.350  0.380  0.764  1.0
  V  V4  1  0.650  0.620  0.236  1.0
  V  V5  1  0.097  0.755  0.034  1.0
  O  O6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.734  0.525  0.948  1.0
  O  O8  1  0.266  0.475  0.052  1.0
  F  F9  1  0.488  0.109  0.803  1.0
  F  F10  1  0.954  0.207  0.666  1.0
  F  F11  1  0.381  0.285  0.483  1.0
  F  F12  1  0.803  0.349  0.251  1.0
  F  F13  1  0.197  0.651  0.749  1.0
  F  F14  1  0.619  0.715  0.517  1.0
  F  F15  1  0.046  0.793  0.334  1.0
  F  F16  1  0.512  0.891  0.197  1.0
[/CIF]
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The material structure described by Li2V4O3F8 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form LiF4 tetrahedra that share corners with three equivalent V(1)O3F3 octahedra and corners with four equivalent V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 51-61°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), two equivalent O(2), one F(1), one F(2), and one F(4) atom to form distorted VO3F3 octahedra that share  a cornercorner with one V(2)O2F4 octahedra,  a cornercorner with one V(1)O3F3 octahedra, corners with three equivalent Li(1)F4 tetrahedra,  an edgeedge with one V(1)O3F3 octahedra, and edges with three equivalent V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 0-28°. In the second V site, V(2) is bonded to two equivalent O(2), one F(1), one F(2), one F(3), and one F(4) atom to form VO2F4 octahedra that share  a cornercorner with one V(1)O3F3 octahedra, corners with four equivalent Li(1)F4 tetrahedra,  an edgeedge with one V(2)O2F4 octahedra, and edges with three equivalent V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles are 28°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded to two equivalent V(1) and two equivalent V(2) atoms to form distorted edge-sharing OV4 trigonal pyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Li(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V4O3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.148
_cell_length_b   6.595
_cell_length_c   6.890
_cell_angle_alpha   107.942
_cell_angle_beta   105.380
_cell_angle_gamma   96.809
_symmetry_Int_Tables_number   1
_cell_volume   209.414
_cell_formula_units_Z   1
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  0.670  0.180  0.398  1.0
  Li  Li1  1  0.330  0.820  0.602  1.0
  V  V2  1  0.903  0.245  0.966  1.0
  V  V3  1  0.350  0.380  0.764  1.0
  V  V4  1  0.650  0.620  0.236  1.0
  V  V5  1  0.097  0.755  0.034  1.0
  O  O6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.734  0.525  0.948  1.0
  O  O8  1  0.266  0.475  0.052  1.0
  F  F9  1  0.488  0.109  0.803  1.0
  F  F10  1  0.954  0.207  0.666  1.0
  F  F11  1  0.381  0.285  0.483  1.0
  F  F12  1  0.803  0.349  0.251  1.0
  F  F13  1  0.197  0.651  0.749  1.0
  F  F14  1  0.619  0.715  0.517  1.0
  F  F15  1  0.046  0.793  0.334  1.0
  F  F16  1  0.512  0.891  0.197  1.0
[/CIF]
.