The structure described by LiV2S2(O4F3)2 crystallizes in the monoclinic Pc space group. Li(1) is bonded in a 5-coordinate geometry to one O(3), one O(5), one O(7), one F(1), and one F(5) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(6), one F(2), one F(3), one F(5), and one F(6) atom to form VO2F4 octahedra that share corners with two equivalent V(2)O2F4 octahedra,  a cornercorner with one S(1)O4 tetrahedra, and  a cornercorner with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the second V site, V(2) is bonded to one O(1), one O(5), one F(1), one F(3), one F(4), and one F(6) atom to form VO2F4 octahedra that share corners with two equivalent V(1)O2F4 octahedra,  a cornercorner with one S(1)O4 tetrahedra, and  a cornercorner with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-48°. There are two inequivalent S sites. In the first S site, 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 range from 44-50°. In the second S site, S(2) is bonded to one O(5), one O(6), one O(7), and one O(8) 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 range from 46-49°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(2) and one S(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(1) and one S(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one S(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one S(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one V(1) and one S(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Li(1) and one S(2) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one S(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Li(1) and one V(2) atom. In the second F site, F(2) is bonded in a single-bond geometry to one V(1) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one V(2) atom. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to one Li(1) and one V(1) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. is represented by the CIF card [CIF]
data_LiV2S2(O4F3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.181
_cell_length_b   7.953
_cell_length_c   12.650
_cell_angle_alpha   54.010
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   584.558
_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
  Li  Li0  1  0.892  0.639  0.279  1.0
  Li  Li1  1  0.108  0.639  0.779  1.0
  V  V2  1  0.246  0.996  0.000  1.0
  V  V3  1  0.254  0.009  0.489  1.0
  V  V4  1  0.746  0.009  0.989  1.0
  V  V5  1  0.754  0.996  0.500  1.0
  S  S6  1  0.516  0.327  0.500  1.0
  S  S7  1  0.484  0.327  0.000  1.0
  S  S8  1  0.988  0.649  0.514  1.0
  S  S9  1  0.012  0.649  0.014  1.0
  O  O10  1  0.358  0.266  0.446  1.0
  O  O11  1  0.352  0.127  0.068  1.0
  O  O12  1  0.379  0.499  0.893  1.0
  O  O13  1  0.447  0.342  0.600  1.0
  O  O14  1  0.621  0.499  0.393  1.0
  O  O15  1  0.553  0.342  0.100  1.0
  O  O16  1  0.642  0.266  0.946  1.0
  O  O17  1  0.648  0.127  0.568  1.0
  O  O18  1  0.856  0.721  0.059  1.0
  O  O19  1  0.848  0.845  0.444  1.0
  O  O20  1  0.954  0.638  0.908  1.0
  O  O21  1  0.896  0.473  0.624  1.0
  O  O22  1  0.104  0.473  0.124  1.0
  O  O23  1  0.046  0.638  0.408  1.0
  O  O24  1  0.144  0.721  0.559  1.0
  O  O25  1  0.152  0.845  0.944  1.0
  F  F26  1  0.259  0.887  0.665  1.0
  F  F27  1  0.266  0.224  0.838  1.0
  F  F28  1  0.509  0.901  0.499  1.0
  F  F29  1  0.491  0.901  0.999  1.0
  F  F30  1  0.741  0.887  0.165  1.0
  F  F31  1  0.734  0.224  0.338  1.0
  F  F32  1  0.772  0.079  0.830  1.0
  F  F33  1  0.820  0.788  0.664  1.0
  F  F34  1  0.004  0.109  0.488  1.0
  F  F35  1  0.996  0.109  0.989  1.0
  F  F36  1  0.180  0.788  0.164  1.0
  F  F37  1  0.228  0.079  0.330  1.0
[/CIF]
.
The structure described by LiV2S2(O4F3)2 crystallizes in the monoclinic Pc space group. Li(1) is bonded in a 5-coordinate geometry to one O(3), one O(5), one O(7), one F(1), and one F(5) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(6), one F(2), one F(3), one F(5), and one F(6) atom to form VO2F4 octahedra that share corners with two equivalent V(2)O2F4 octahedra,  a cornercorner with one S(1)O4 tetrahedra, and  a cornercorner with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the second V site, V(2) is bonded to one O(1), one O(5), one F(1), one F(3), one F(4), and one F(6) atom to form VO2F4 octahedra that share corners with two equivalent V(1)O2F4 octahedra,  a cornercorner with one S(1)O4 tetrahedra, and  a cornercorner with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-48°. There are two inequivalent S sites. In the first S site, 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 range from 44-50°. In the second S site, S(2) is bonded to one O(5), one O(6), one O(7), and one O(8) 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 range from 46-49°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(2) and one S(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(1) and one S(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one S(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one S(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one V(1) and one S(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Li(1) and one S(2) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one S(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Li(1) and one V(2) atom. In the second F site, F(2) is bonded in a single-bond geometry to one V(1) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one V(2) atom. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to one Li(1) and one V(1) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. is represented by the CIF card [CIF]
data_LiV2S2(O4F3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.181
_cell_length_b   7.953
_cell_length_c   12.650
_cell_angle_alpha   54.010
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   584.558
_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
  Li  Li0  1  0.892  0.639  0.279  1.0
  Li  Li1  1  0.108  0.639  0.779  1.0
  V  V2  1  0.246  0.996  0.000  1.0
  V  V3  1  0.254  0.009  0.489  1.0
  V  V4  1  0.746  0.009  0.989  1.0
  V  V5  1  0.754  0.996  0.500  1.0
  S  S6  1  0.516  0.327  0.500  1.0
  S  S7  1  0.484  0.327  0.000  1.0
  S  S8  1  0.988  0.649  0.514  1.0
  S  S9  1  0.012  0.649  0.014  1.0
  O  O10  1  0.358  0.266  0.446  1.0
  O  O11  1  0.352  0.127  0.068  1.0
  O  O12  1  0.379  0.499  0.893  1.0
  O  O13  1  0.447  0.342  0.600  1.0
  O  O14  1  0.621  0.499  0.393  1.0
  O  O15  1  0.553  0.342  0.100  1.0
  O  O16  1  0.642  0.266  0.946  1.0
  O  O17  1  0.648  0.127  0.568  1.0
  O  O18  1  0.856  0.721  0.059  1.0
  O  O19  1  0.848  0.845  0.444  1.0
  O  O20  1  0.954  0.638  0.908  1.0
  O  O21  1  0.896  0.473  0.624  1.0
  O  O22  1  0.104  0.473  0.124  1.0
  O  O23  1  0.046  0.638  0.408  1.0
  O  O24  1  0.144  0.721  0.559  1.0
  O  O25  1  0.152  0.845  0.944  1.0
  F  F26  1  0.259  0.887  0.665  1.0
  F  F27  1  0.266  0.224  0.838  1.0
  F  F28  1  0.509  0.901  0.499  1.0
  F  F29  1  0.491  0.901  0.999  1.0
  F  F30  1  0.741  0.887  0.165  1.0
  F  F31  1  0.734  0.224  0.338  1.0
  F  F32  1  0.772  0.079  0.830  1.0
  F  F33  1  0.820  0.788  0.664  1.0
  F  F34  1  0.004  0.109  0.488  1.0
  F  F35  1  0.996  0.109  0.989  1.0
  F  F36  1  0.180  0.788  0.164  1.0
  F  F37  1  0.228  0.079  0.330  1.0
[/CIF]
.