The structure described by Li2VSO4F3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one F(1), and one F(3) atom. In the second Li site, Li(2) is bonded in a distorted T-shaped geometry to one O(2), one O(4), and one F(1) atom. There are two inequivalent V sites. In the first V site, 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 two equivalent V(2)O2F4 octahedra and corners with two equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In the second V site, V(2) is bonded to two equivalent O(4), two equivalent F(2), and two equivalent F(3) atoms to form VO2F4 octahedra that share corners with two equivalent V(1)O2F4 octahedra and corners with two equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share  a cornercorner with one V(1)O2F4 octahedra and  a cornercorner with one V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one S(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Li(2) and one S(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(2), and one S(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Li(2), and one V(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VSO4F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.042
_cell_length_b   7.091
_cell_length_c   7.887
_cell_angle_alpha   89.112
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   561.530
_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  0.277  0.240  0.893  1.0
  Li  Li1  1  0.223  0.240  0.393  1.0
  Li  Li2  1  0.724  0.267  0.885  1.0
  Li  Li3  1  0.776  0.267  0.385  1.0
  Li  Li4  1  0.224  0.733  0.615  1.0
  Li  Li5  1  0.276  0.733  0.115  1.0
  Li  Li6  1  0.777  0.760  0.607  1.0
  Li  Li7  1  0.723  0.760  0.107  1.0
  V  V8  1  0.500  0.000  0.500  1.0
  V  V9  1  0.000  0.000  0.000  1.0
  V  V10  1  0.500  0.500  0.500  1.0
  V  V11  1  0.000  0.500  0.000  1.0
  S  S12  1  0.999  0.254  0.666  1.0
  S  S13  1  0.501  0.254  0.166  1.0
  S  S14  1  0.499  0.746  0.834  1.0
  S  S15  1  0.001  0.746  0.334  1.0
  O  O16  1  0.075  0.116  0.782  1.0
  O  O17  1  0.425  0.116  0.282  1.0
  O  O18  1  0.902  0.158  0.561  1.0
  O  O19  1  0.598  0.158  0.061  1.0
  O  O20  1  0.101  0.356  0.568  1.0
  O  O21  1  0.399  0.356  0.068  1.0
  O  O22  1  0.921  0.383  0.783  1.0
  O  O23  1  0.579  0.383  0.283  1.0
  O  O24  1  0.421  0.617  0.717  1.0
  O  O25  1  0.079  0.617  0.217  1.0
  O  O26  1  0.601  0.644  0.932  1.0
  O  O27  1  0.899  0.644  0.432  1.0
  O  O28  1  0.402  0.842  0.939  1.0
  O  O29  1  0.098  0.842  0.439  1.0
  O  O30  1  0.575  0.884  0.718  1.0
  O  O31  1  0.925  0.884  0.218  1.0
  F  F32  1  0.819  0.028  0.922  1.0
  F  F33  1  0.681  0.028  0.422  1.0
  F  F34  1  0.497  0.251  0.617  1.0
  F  F35  1  0.003  0.251  0.117  1.0
  F  F36  1  0.179  0.474  0.918  1.0
  F  F37  1  0.321  0.474  0.418  1.0
  F  F38  1  0.679  0.526  0.582  1.0
  F  F39  1  0.821  0.526  0.082  1.0
  F  F40  1  0.997  0.749  0.883  1.0
  F  F41  1  0.503  0.749  0.383  1.0
  F  F42  1  0.319  0.972  0.578  1.0
  F  F43  1  0.181  0.972  0.078  1.0
[/CIF]
.
The structure described by Li2VSO4F3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one F(1), and one F(3) atom. In the second Li site, Li(2) is bonded in a distorted T-shaped geometry to one O(2), one O(4), and one F(1) atom. There are two inequivalent V sites. In the first V site, 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 two equivalent V(2)O2F4 octahedra and corners with two equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In the second V site, V(2) is bonded to two equivalent O(4), two equivalent F(2), and two equivalent F(3) atoms to form VO2F4 octahedra that share corners with two equivalent V(1)O2F4 octahedra and corners with two equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share  a cornercorner with one V(1)O2F4 octahedra and  a cornercorner with one V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles are 56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one S(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Li(2) and one S(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one V(2), and one S(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Li(2), and one V(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VSO4F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.042
_cell_length_b   7.091
_cell_length_c   7.887
_cell_angle_alpha   89.112
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   561.530
_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  0.277  0.240  0.893  1.0
  Li  Li1  1  0.223  0.240  0.393  1.0
  Li  Li2  1  0.724  0.267  0.885  1.0
  Li  Li3  1  0.776  0.267  0.385  1.0
  Li  Li4  1  0.224  0.733  0.615  1.0
  Li  Li5  1  0.276  0.733  0.115  1.0
  Li  Li6  1  0.777  0.760  0.607  1.0
  Li  Li7  1  0.723  0.760  0.107  1.0
  V  V8  1  0.500  0.000  0.500  1.0
  V  V9  1  0.000  0.000  0.000  1.0
  V  V10  1  0.500  0.500  0.500  1.0
  V  V11  1  0.000  0.500  0.000  1.0
  S  S12  1  0.999  0.254  0.666  1.0
  S  S13  1  0.501  0.254  0.166  1.0
  S  S14  1  0.499  0.746  0.834  1.0
  S  S15  1  0.001  0.746  0.334  1.0
  O  O16  1  0.075  0.116  0.782  1.0
  O  O17  1  0.425  0.116  0.282  1.0
  O  O18  1  0.902  0.158  0.561  1.0
  O  O19  1  0.598  0.158  0.061  1.0
  O  O20  1  0.101  0.356  0.568  1.0
  O  O21  1  0.399  0.356  0.068  1.0
  O  O22  1  0.921  0.383  0.783  1.0
  O  O23  1  0.579  0.383  0.283  1.0
  O  O24  1  0.421  0.617  0.717  1.0
  O  O25  1  0.079  0.617  0.217  1.0
  O  O26  1  0.601  0.644  0.932  1.0
  O  O27  1  0.899  0.644  0.432  1.0
  O  O28  1  0.402  0.842  0.939  1.0
  O  O29  1  0.098  0.842  0.439  1.0
  O  O30  1  0.575  0.884  0.718  1.0
  O  O31  1  0.925  0.884  0.218  1.0
  F  F32  1  0.819  0.028  0.922  1.0
  F  F33  1  0.681  0.028  0.422  1.0
  F  F34  1  0.497  0.251  0.617  1.0
  F  F35  1  0.003  0.251  0.117  1.0
  F  F36  1  0.179  0.474  0.918  1.0
  F  F37  1  0.321  0.474  0.418  1.0
  F  F38  1  0.679  0.526  0.582  1.0
  F  F39  1  0.821  0.526  0.082  1.0
  F  F40  1  0.997  0.749  0.883  1.0
  F  F41  1  0.503  0.749  0.383  1.0
  F  F42  1  0.319  0.972  0.578  1.0
  F  F43  1  0.181  0.972  0.078  1.0
[/CIF]
.