The crystal structure described by Li3V2S2(O4F3)2 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in an L-shaped geometry to one O(6) and one F(5) atom. In the second Li site, Li(2) is bonded in a distorted L-shaped geometry to one O(3) and one F(2) atom. In the third Li site, Li(3) is bonded in a distorted trigonal non-coplanar geometry to one O(14), one F(11), and one F(6) atom. In the fourth Li site, Li(4) is bonded in a see-saw-like geometry to one O(10), one O(13), one F(12), and one F(5) atom. In the fifth Li site, Li(5) is bonded in a distorted see-saw-like geometry to one O(12), one O(15), one F(2), and one F(7) atom. In the sixth Li site, Li(6) is bonded in a distorted trigonal non-coplanar geometry to one O(11), one F(1), and one F(8) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(15), one O(2), one F(10), one F(11), one F(2), and one F(3) atom to form VO2F4 octahedra that share corners with two equivalent V(3)O2F4 octahedra,  a cornercorner with one S(2)O4 tetrahedra, and  a cornercorner with one S(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the second V site, V(2) is bonded to one O(1), one O(16), one F(1), one F(12), one F(4), and one F(9) atom to form VO2F4 octahedra that share corners with two equivalent V(4)O2F4 octahedra,  a cornercorner with one S(1)O4 tetrahedra, and  a cornercorner with one S(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the third V site, V(3) is bonded to one O(8), one O(9), one F(10), one F(3), one F(6), and one F(7) atom to form VO2F4 octahedra that share corners with two equivalent V(1)O2F4 octahedra,  a cornercorner with one S(2)O4 tetrahedra, and  a cornercorner with one S(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the fourth V site, V(4) is bonded to one O(10), one O(7), one F(4), one F(5), one F(8), and one F(9) 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(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are four inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form SO4 tetrahedra that share  a cornercorner with one V(2)O2F4 octahedra and  a cornercorner with one V(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the second S site, S(2) is bonded to one O(2), one O(4), one O(6), 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(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the third S site, S(3) is bonded to one O(11), one O(13), one O(15), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one V(1)O2F4 octahedra and  a cornercorner with one V(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the fourth S site, S(4) is bonded to one O(10), one O(12), one O(14), and one O(16) atom to form SO4 tetrahedra that share  a cornercorner with one V(2)O2F4 octahedra and  a cornercorner with one V(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are sixteen 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(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(2) and one S(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one S(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one S(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(1) and one S(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(4) and one S(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one V(3) and one S(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one V(3) and one S(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(4), one V(4), and one S(4) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Li(6) and one S(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Li(5) and one S(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Li(4) and one S(3) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Li(3) and one S(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(5), one V(1), and one S(3) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one V(2) and one S(4) atom. There are twelve inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Li(6) and one V(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(5), and one V(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one V(1) and one V(3) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one V(2) and one V(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(4), and one V(4) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Li(3) and one V(3) atom. In the seventh F site, F(7) is bonded in a bent 120 degrees geometry to one Li(5) and one V(3) atom. In the eighth F site, F(8) is bonded in a bent 120 degrees geometry to one Li(6) and one V(4) atom. In the ninth F site, F(9) is bonded in a bent 120 degrees geometry to one V(2) and one V(4) atom. In the tenth F site, F(10) is bonded in a bent 120 degrees geometry to one V(1) and one V(3) atom. In the eleventh F site, F(11) is bonded in a bent 120 degrees geometry to one Li(3) and one V(1) atom. In the twelfth F site, F(12) is bonded in a bent 120 degrees geometry to one Li(4) and one V(2) atom. is represented by the CIF file [CIF]
data_Li3V2S2(O4F3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.154
_cell_length_b   7.830
_cell_length_c   10.369
_cell_angle_alpha   91.622
_cell_angle_beta   90.724
_cell_angle_gamma   90.547
_symmetry_Int_Tables_number   1
_cell_volume   580.557
_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  0.280  0.115  0.290  1.0
  Li  Li1  1  0.250  0.607  0.783  1.0
  Li  Li2  1  0.706  0.420  0.227  1.0
  Li  Li3  1  0.712  0.918  0.251  1.0
  Li  Li4  1  0.783  0.426  0.748  1.0
  Li  Li5  1  0.776  0.921  0.732  1.0
  V  V6  1  0.998  0.492  0.494  1.0
  V  V7  1  1.000  0.001  0.998  1.0
  V  V8  1  0.499  0.500  0.497  1.0
  V  V9  1  0.500  0.992  0.994  1.0
  S  S10  1  0.276  0.331  0.011  1.0
  S  S11  1  0.234  0.831  0.509  1.0
  S  S12  1  0.742  0.157  0.501  1.0
  S  S13  1  0.751  0.657  0.001  1.0
  O  O14  1  0.115  0.214  0.060  1.0
  O  O15  1  0.094  0.715  0.438  1.0
  O  O16  1  0.196  0.452  0.922  1.0
  O  O17  1  0.150  0.914  0.620  1.0
  O  O18  1  0.370  0.403  0.125  1.0
  O  O19  1  0.320  0.942  0.416  1.0
  O  O20  1  0.406  0.213  0.936  1.0
  O  O21  1  0.388  0.711  0.562  1.0
  O  O22  1  0.595  0.274  0.439  1.0
  O  O23  1  0.610  0.774  0.067  1.0
  O  O24  1  0.656  0.057  0.602  1.0
  O  O25  1  0.666  0.557  0.894  1.0
  O  O26  1  0.822  0.055  0.396  1.0
  O  O27  1  0.837  0.555  0.100  1.0
  O  O28  1  0.885  0.275  0.568  1.0
  O  O29  1  0.897  0.775  0.939  1.0
  F  F30  1  0.971  0.064  0.831  1.0
  F  F31  1  0.034  0.545  0.680  1.0
  F  F32  1  0.259  0.393  0.473  1.0
  F  F33  1  0.237  0.892  0.981  1.0
  F  F34  1  0.479  0.048  0.180  1.0
  F  F35  1  0.532  0.571  0.333  1.0
  F  F36  1  0.521  0.431  0.667  1.0
  F  F37  1  0.550  0.904  0.826  1.0
  F  F38  1  0.756  0.104  0.018  1.0
  F  F39  1  0.746  0.603  0.525  1.0
  F  F40  1  0.936  0.407  0.326  1.0
  F  F41  1  0.974  0.934  0.167  1.0
[/CIF]
.
The crystal structure described by Li3V2S2(O4F3)2 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in an L-shaped geometry to one O(6) and one F(5) atom. In the second Li site, Li(2) is bonded in a distorted L-shaped geometry to one O(3) and one F(2) atom. In the third Li site, Li(3) is bonded in a distorted trigonal non-coplanar geometry to one O(14), one F(11), and one F(6) atom. In the fourth Li site, Li(4) is bonded in a see-saw-like geometry to one O(10), one O(13), one F(12), and one F(5) atom. In the fifth Li site, Li(5) is bonded in a distorted see-saw-like geometry to one O(12), one O(15), one F(2), and one F(7) atom. In the sixth Li site, Li(6) is bonded in a distorted trigonal non-coplanar geometry to one O(11), one F(1), and one F(8) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(15), one O(2), one F(10), one F(11), one F(2), and one F(3) atom to form VO2F4 octahedra that share corners with two equivalent V(3)O2F4 octahedra,  a cornercorner with one S(2)O4 tetrahedra, and  a cornercorner with one S(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the second V site, V(2) is bonded to one O(1), one O(16), one F(1), one F(12), one F(4), and one F(9) atom to form VO2F4 octahedra that share corners with two equivalent V(4)O2F4 octahedra,  a cornercorner with one S(1)O4 tetrahedra, and  a cornercorner with one S(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the third V site, V(3) is bonded to one O(8), one O(9), one F(10), one F(3), one F(6), and one F(7) atom to form VO2F4 octahedra that share corners with two equivalent V(1)O2F4 octahedra,  a cornercorner with one S(2)O4 tetrahedra, and  a cornercorner with one S(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the fourth V site, V(4) is bonded to one O(10), one O(7), one F(4), one F(5), one F(8), and one F(9) 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(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are four inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form SO4 tetrahedra that share  a cornercorner with one V(2)O2F4 octahedra and  a cornercorner with one V(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the second S site, S(2) is bonded to one O(2), one O(4), one O(6), 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(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the third S site, S(3) is bonded to one O(11), one O(13), one O(15), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one V(1)O2F4 octahedra and  a cornercorner with one V(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the fourth S site, S(4) is bonded to one O(10), one O(12), one O(14), and one O(16) atom to form SO4 tetrahedra that share  a cornercorner with one V(2)O2F4 octahedra and  a cornercorner with one V(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are sixteen 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(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(2) and one S(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one S(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one S(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(1) and one S(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(4) and one S(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one V(3) and one S(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one V(3) and one S(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(4), one V(4), and one S(4) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Li(6) and one S(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Li(5) and one S(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Li(4) and one S(3) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Li(3) and one S(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(5), one V(1), and one S(3) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one V(2) and one S(4) atom. There are twelve inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Li(6) and one V(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(5), and one V(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one V(1) and one V(3) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one V(2) and one V(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(4), and one V(4) atom. In the sixth F site, F(6) is bonded in a bent 120 degrees geometry to one Li(3) and one V(3) atom. In the seventh F site, F(7) is bonded in a bent 120 degrees geometry to one Li(5) and one V(3) atom. In the eighth F site, F(8) is bonded in a bent 120 degrees geometry to one Li(6) and one V(4) atom. In the ninth F site, F(9) is bonded in a bent 120 degrees geometry to one V(2) and one V(4) atom. In the tenth F site, F(10) is bonded in a bent 120 degrees geometry to one V(1) and one V(3) atom. In the eleventh F site, F(11) is bonded in a bent 120 degrees geometry to one Li(3) and one V(1) atom. In the twelfth F site, F(12) is bonded in a bent 120 degrees geometry to one Li(4) and one V(2) atom. is represented by the CIF file [CIF]
data_Li3V2S2(O4F3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.154
_cell_length_b   7.830
_cell_length_c   10.369
_cell_angle_alpha   91.622
_cell_angle_beta   90.724
_cell_angle_gamma   90.547
_symmetry_Int_Tables_number   1
_cell_volume   580.557
_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  0.280  0.115  0.290  1.0
  Li  Li1  1  0.250  0.607  0.783  1.0
  Li  Li2  1  0.706  0.420  0.227  1.0
  Li  Li3  1  0.712  0.918  0.251  1.0
  Li  Li4  1  0.783  0.426  0.748  1.0
  Li  Li5  1  0.776  0.921  0.732  1.0
  V  V6  1  0.998  0.492  0.494  1.0
  V  V7  1  1.000  0.001  0.998  1.0
  V  V8  1  0.499  0.500  0.497  1.0
  V  V9  1  0.500  0.992  0.994  1.0
  S  S10  1  0.276  0.331  0.011  1.0
  S  S11  1  0.234  0.831  0.509  1.0
  S  S12  1  0.742  0.157  0.501  1.0
  S  S13  1  0.751  0.657  0.001  1.0
  O  O14  1  0.115  0.214  0.060  1.0
  O  O15  1  0.094  0.715  0.438  1.0
  O  O16  1  0.196  0.452  0.922  1.0
  O  O17  1  0.150  0.914  0.620  1.0
  O  O18  1  0.370  0.403  0.125  1.0
  O  O19  1  0.320  0.942  0.416  1.0
  O  O20  1  0.406  0.213  0.936  1.0
  O  O21  1  0.388  0.711  0.562  1.0
  O  O22  1  0.595  0.274  0.439  1.0
  O  O23  1  0.610  0.774  0.067  1.0
  O  O24  1  0.656  0.057  0.602  1.0
  O  O25  1  0.666  0.557  0.894  1.0
  O  O26  1  0.822  0.055  0.396  1.0
  O  O27  1  0.837  0.555  0.100  1.0
  O  O28  1  0.885  0.275  0.568  1.0
  O  O29  1  0.897  0.775  0.939  1.0
  F  F30  1  0.971  0.064  0.831  1.0
  F  F31  1  0.034  0.545  0.680  1.0
  F  F32  1  0.259  0.393  0.473  1.0
  F  F33  1  0.237  0.892  0.981  1.0
  F  F34  1  0.479  0.048  0.180  1.0
  F  F35  1  0.532  0.571  0.333  1.0
  F  F36  1  0.521  0.431  0.667  1.0
  F  F37  1  0.550  0.904  0.826  1.0
  F  F38  1  0.756  0.104  0.018  1.0
  F  F39  1  0.746  0.603  0.525  1.0
  F  F40  1  0.936  0.407  0.326  1.0
  F  F41  1  0.974  0.934  0.167  1.0
[/CIF]
.