The structure described by Li4V2C4SO16 crystallizes in the orthorhombic F222 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-61°. In the fourth Li site, Li(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-61°. V(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form VO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, and  an edgeedge with one Li(4)O6 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(6), and one O(8) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to four equivalent O(4) atoms to form SO4 tetrahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. In the second S site, S(2) is bonded in a tetrahedral geometry to four equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one V(1), and one C(2) atom. In the second O site, O(7) is bonded in an L-shaped geometry to one Li(2) and one S(2) atom. In the third O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(2) atom. In the fourth O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one V(1), and one C(2) atom. In the fifth O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one C(1) atom. In the sixth O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one C(1) atom. In the seventh O site, O(4) is bonded to one Li(1), one Li(3), one Li(4), and one S(1) atom to form edge-sharing OLi3S trigonal pyramids. In the eighth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(1), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4V2C4SO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.648
_cell_length_b   9.511
_cell_length_c   9.487
_cell_angle_alpha   61.041
_cell_angle_beta   59.601
_cell_angle_gamma   59.358
_symmetry_Int_Tables_number   1
_cell_volume   615.274
_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  0.787  0.213  0.213  1.0
  Li  Li1  1  0.059  0.441  0.441  1.0
  Li  Li2  1  0.786  0.786  0.214  1.0
  Li  Li3  1  0.214  0.214  0.786  1.0
  Li  Li4  1  0.213  0.787  0.213  1.0
  Li  Li5  1  0.213  0.787  0.787  1.0
  Li  Li6  1  0.787  0.213  0.787  1.0
  Li  Li7  1  0.441  0.059  0.059  1.0
  V  V8  1  0.623  0.624  0.627  1.0
  V  V9  1  0.627  0.126  0.623  1.0
  V  V10  1  0.126  0.627  0.624  1.0
  V  V11  1  0.624  0.623  0.126  1.0
  C  C12  1  0.776  0.403  0.407  1.0
  C  C13  1  0.414  0.407  0.403  1.0
  C  C14  1  0.407  0.414  0.776  1.0
  C  C15  1  0.403  0.776  0.414  1.0
  C  C16  1  0.852  0.467  0.834  1.0
  C  C17  1  0.846  0.834  0.467  1.0
  C  C18  1  0.834  0.846  0.852  1.0
  C  C19  1  0.467  0.852  0.846  1.0
  S  S20  1  0.000  0.000  0.000  1.0
  S  S21  1  0.250  0.250  0.250  1.0
  O  O22  1  0.727  0.809  0.466  1.0
  O  O23  1  0.772  0.416  0.269  1.0
  O  O24  1  0.543  0.269  0.416  1.0
  O  O25  1  0.466  0.998  0.727  1.0
  O  O26  1  0.426  0.537  0.264  1.0
  O  O27  1  0.065  0.061  0.808  1.0
  O  O28  1  0.066  0.808  0.061  1.0
  O  O29  1  0.782  0.529  0.422  1.0
  O  O30  1  0.267  0.422  0.529  1.0
  O  O31  1  0.422  0.267  0.782  1.0
  O  O32  1  0.529  0.782  0.267  1.0
  O  O33  1  0.061  0.065  0.066  1.0
  O  O34  1  0.808  0.066  0.065  1.0
  O  O35  1  0.996  0.714  0.459  1.0
  O  O36  1  0.831  0.459  0.714  1.0
  O  O37  1  0.264  0.773  0.426  1.0
  O  O38  1  0.998  0.466  0.809  1.0
  O  O39  1  0.269  0.543  0.772  1.0
  O  O40  1  0.416  0.772  0.543  1.0
  O  O41  1  0.443  0.181  0.181  1.0
  O  O42  1  0.195  0.181  0.181  1.0
  O  O43  1  0.732  0.470  0.981  1.0
  O  O44  1  0.817  0.981  0.470  1.0
  O  O45  1  0.470  0.732  0.817  1.0
  O  O46  1  0.981  0.817  0.732  1.0
  O  O47  1  0.181  0.443  0.195  1.0
  O  O48  1  0.181  0.195  0.443  1.0
  O  O49  1  0.809  0.727  0.998  1.0
  O  O50  1  0.773  0.264  0.537  1.0
  O  O51  1  0.714  0.996  0.831  1.0
  O  O52  1  0.459  0.831  0.996  1.0
  O  O53  1  0.537  0.426  0.773  1.0
[/CIF]
.
The structure described by Li4V2C4SO16 crystallizes in the orthorhombic F222 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-61°. In the fourth Li site, Li(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-61°. V(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form VO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, and  an edgeedge with one Li(4)O6 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(6), and one O(8) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to four equivalent O(4) atoms to form SO4 tetrahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. In the second S site, S(2) is bonded in a tetrahedral geometry to four equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one V(1), and one C(2) atom. In the second O site, O(7) is bonded in an L-shaped geometry to one Li(2) and one S(2) atom. In the third O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(2) atom. In the fourth O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one V(1), and one C(2) atom. In the fifth O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one C(1) atom. In the sixth O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one C(1) atom. In the seventh O site, O(4) is bonded to one Li(1), one Li(3), one Li(4), and one S(1) atom to form edge-sharing OLi3S trigonal pyramids. In the eighth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(1), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4V2C4SO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.648
_cell_length_b   9.511
_cell_length_c   9.487
_cell_angle_alpha   61.041
_cell_angle_beta   59.601
_cell_angle_gamma   59.358
_symmetry_Int_Tables_number   1
_cell_volume   615.274
_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  0.787  0.213  0.213  1.0
  Li  Li1  1  0.059  0.441  0.441  1.0
  Li  Li2  1  0.786  0.786  0.214  1.0
  Li  Li3  1  0.214  0.214  0.786  1.0
  Li  Li4  1  0.213  0.787  0.213  1.0
  Li  Li5  1  0.213  0.787  0.787  1.0
  Li  Li6  1  0.787  0.213  0.787  1.0
  Li  Li7  1  0.441  0.059  0.059  1.0
  V  V8  1  0.623  0.624  0.627  1.0
  V  V9  1  0.627  0.126  0.623  1.0
  V  V10  1  0.126  0.627  0.624  1.0
  V  V11  1  0.624  0.623  0.126  1.0
  C  C12  1  0.776  0.403  0.407  1.0
  C  C13  1  0.414  0.407  0.403  1.0
  C  C14  1  0.407  0.414  0.776  1.0
  C  C15  1  0.403  0.776  0.414  1.0
  C  C16  1  0.852  0.467  0.834  1.0
  C  C17  1  0.846  0.834  0.467  1.0
  C  C18  1  0.834  0.846  0.852  1.0
  C  C19  1  0.467  0.852  0.846  1.0
  S  S20  1  0.000  0.000  0.000  1.0
  S  S21  1  0.250  0.250  0.250  1.0
  O  O22  1  0.727  0.809  0.466  1.0
  O  O23  1  0.772  0.416  0.269  1.0
  O  O24  1  0.543  0.269  0.416  1.0
  O  O25  1  0.466  0.998  0.727  1.0
  O  O26  1  0.426  0.537  0.264  1.0
  O  O27  1  0.065  0.061  0.808  1.0
  O  O28  1  0.066  0.808  0.061  1.0
  O  O29  1  0.782  0.529  0.422  1.0
  O  O30  1  0.267  0.422  0.529  1.0
  O  O31  1  0.422  0.267  0.782  1.0
  O  O32  1  0.529  0.782  0.267  1.0
  O  O33  1  0.061  0.065  0.066  1.0
  O  O34  1  0.808  0.066  0.065  1.0
  O  O35  1  0.996  0.714  0.459  1.0
  O  O36  1  0.831  0.459  0.714  1.0
  O  O37  1  0.264  0.773  0.426  1.0
  O  O38  1  0.998  0.466  0.809  1.0
  O  O39  1  0.269  0.543  0.772  1.0
  O  O40  1  0.416  0.772  0.543  1.0
  O  O41  1  0.443  0.181  0.181  1.0
  O  O42  1  0.195  0.181  0.181  1.0
  O  O43  1  0.732  0.470  0.981  1.0
  O  O44  1  0.817  0.981  0.470  1.0
  O  O45  1  0.470  0.732  0.817  1.0
  O  O46  1  0.981  0.817  0.732  1.0
  O  O47  1  0.181  0.443  0.195  1.0
  O  O48  1  0.181  0.195  0.443  1.0
  O  O49  1  0.809  0.727  0.998  1.0
  O  O50  1  0.773  0.264  0.537  1.0
  O  O51  1  0.714  0.996  0.831  1.0
  O  O52  1  0.459  0.831  0.996  1.0
  O  O53  1  0.537  0.426  0.773  1.0
[/CIF]
.