The material structure described by Li4Co2C4SO16 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(13), one O(2), one O(22), one O(23), and one O(3) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-84°. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(19), one O(20), one O(27), one O(3), and one O(4) atom. In the third Li site, Li(3) is bonded to one O(12), one O(14), one O(16), one O(31), one O(5), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-61°. In the fourth Li site, Li(4) is bonded to one O(1), one O(11), one O(13), one O(28), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-82°. In the fifth Li site, Li(5) is bonded to one O(17), one O(18), one O(2), one O(21), one O(26), and one O(28) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, and  an edgeedge with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 79-84°. In the sixth Li site, Li(6) is bonded to one O(18), one O(19), one O(24), one O(25), one O(6), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-79°. In the seventh Li site, Li(7) is bonded to one O(13), one O(15), one O(29), one O(30), one O(32), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-65°. In the eighth Li site, Li(8) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(20), one O(21), one O(30), and one O(31) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(15), one O(19), one O(24), one O(32), and one O(9) atom to form CoO6 octahedra that share  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, and  an edgeedge with one Li(7)O6 octahedra. In the second Co site, Co(2) is bonded to one O(10), one O(23), one O(29), one O(3), one O(30), and one O(4) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra and  an edgeedge with one Li(7)O6 octahedra. In the third Co site, Co(3) is bonded to one O(14), one O(16), one O(17), one O(18), one O(25), and one O(8) atom to form CoO6 octahedra that share  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, and  an edgeedge with one Li(6)O6 octahedra. In the fourth Co site, Co(4) is bonded to one O(11), one O(2), one O(22), one O(28), one O(31), and one O(5) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, and  an edgeedge with one Li(5)O6 octahedra. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), one O(29), and one O(9) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(8) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(10), one O(18), and one O(32) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(11), one O(16), and one O(19) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(1), one O(14), and one O(23) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(15), one O(17), and one O(22) atom. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one O(24), one O(31), and one O(4) atom. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one O(25), one O(28), and one O(30) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(12), one O(13), one O(6), and one O(7) atom to form SO4 tetrahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, and  an edgeedge with one Li(7)O6 octahedra. In the second S site, S(2) is bonded to one O(20), one O(21), one O(26), and one O(27) atom to form SO4 tetrahedra that share  an edgeedge with one Li(5)O6 octahedra. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Co(1), and one C(5) atom to form distorted OLi2CoC tetrahedra that share  a cornercorner with one O(3)Li2CoC tetrahedra,  a cornercorner with one O(13)Li3S trigonal pyramid, and  a cornercorner with one O(7)Li3S trigonal pyramid. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Co(4), and one C(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Co(2), and one C(2) atom to form distorted OLi2CoC tetrahedra that share  a cornercorner with one O(1)Li2CoC tetrahedra and  a cornercorner with one O(13)Li3S trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one C(7) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(4), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(6), one Li(7), and one S(1) atom. In the seventh O site, O(7) is bonded to one Li(3), one Li(4), one Li(6), and one S(1) atom to form OLi3S trigonal pyramids that share  a cornercorner with one O(1)Li2CoC tetrahedra and  an edgeedge with one O(13)Li3S trigonal pyramid. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Co(3) and one C(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(1), and one C(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(8), one Co(2), and one C(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(4), one Li(8), one Co(4), and one C(4) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Li(1), one Li(3), and one S(1) atom. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(4), one Li(7), and one S(1) atom to form OLi3S trigonal pyramids that share  a cornercorner with one O(1)Li2CoC tetrahedra,  a cornercorner with one O(3)Li2CoC tetrahedra, and  an edgeedge with one O(7)Li3S trigonal pyramid. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(3), one Co(3), and one C(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Li(7), one Co(1), and one C(6) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(3), and one C(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(5), one Co(3), and one C(6) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(5), one Li(6), one Co(3), and one C(3) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Li(2), one Li(6), one Co(1), and one C(4) atom. In the twentieth O site, O(20) is bonded in a distorted T-shaped geometry to one Li(2), one Li(8), and one S(2) atom. In the twenty-first O site, O(21) is bonded in a distorted T-shaped geometry to one Li(5), one Li(8), and one S(2) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Co(4), and one C(6) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Co(2), and one C(5) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal non-coplanar geometry to one Li(6), one Co(1), and one C(7) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal non-coplanar geometry to one Li(6), one Co(3), and one C(8) atom. In the twenty-sixth O site, O(26) is bonded in an L-shaped geometry to one Li(5) and one S(2) atom. In the twenty-seventh O site, O(27) is bonded in an L-shaped geometry to one Li(2) and one S(2) atom. In the twenty-eighth O site, O(28) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Co(4), and one C(8) atom. In the twenty-ninth O site, O(29) is bonded in a distorted trigonal planar geometry to one Li(7), one Co(2), and one C(1) atom. In the thirtieth O site, O(30) is bonded in a 4-coordinate geometry to one Li(7), one Li(8), one Co(2), and one C(8) atom. In the thirty-first O site, O(31) is bonded in a 4-coordinate geometry to one Li(3), one Li(8), one Co(4), and one C(7) atom. In the thirty-second O site, O(32) is bonded in a distorted trigonal planar geometry to one Li(7), one Co(1), and one C(3) atom. is represented by the CIF file [CIF]
data_Li4Co2C4SO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.146
_cell_length_b   9.156
_cell_length_c   9.243
_cell_angle_alpha   118.925
_cell_angle_beta   118.896
_cell_angle_gamma   91.291
_symmetry_Int_Tables_number   1
_cell_volume   558.934
_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  0.334  0.664  0.748  1.0
  Li  Li1  1  0.678  0.915  0.249  1.0
  Li  Li2  1  0.919  0.673  0.762  1.0
  Li  Li3  1  0.329  0.083  0.175  1.0
  Li  Li4  1  0.074  0.337  0.255  1.0
  Li  Li5  1  0.914  0.085  0.749  1.0
  Li  Li6  1  0.323  0.078  0.730  1.0
  Li  Li7  1  0.680  0.340  0.255  1.0
  Co  Co8  1  0.501  0.998  0.499  1.0
  Co  Co9  1  0.500  0.499  0.998  1.0
  Co  Co10  1  0.999  0.499  0.998  1.0
  Co  Co11  1  0.499  0.499  0.500  1.0
  C  C12  1  0.355  0.284  0.572  1.0
  C  C13  1  0.716  0.643  0.924  1.0
  C  C14  1  0.710  0.277  0.925  1.0
  C  C15  1  0.721  0.287  0.571  1.0
  C  C16  1  0.287  0.718  0.068  1.0
  C  C17  1  0.281  0.710  0.426  1.0
  C  C18  1  0.646  0.715  0.424  1.0
  C  C19  1  0.283  0.349  0.071  1.0
  S  S20  1  0.129  0.881  0.761  1.0
  S  S21  1  0.872  0.130  0.252  1.0
  O  O22  1  0.416  0.870  0.214  1.0
  O  O23  1  0.343  0.414  0.549  1.0
  O  O24  1  0.586  0.655  0.949  1.0
  O  O25  1  0.638  0.698  0.274  1.0
  O  O26  1  0.699  0.643  0.777  1.0
  O  O27  1  0.069  0.957  0.641  1.0
  O  O28  1  0.060  0.943  0.891  1.0
  O  O29  1  0.856  0.638  0.050  1.0
  O  O30  1  0.359  0.142  0.444  1.0
  O  O31  1  0.693  0.402  0.058  1.0
  O  O32  1  0.593  0.301  0.436  1.0
  O  O33  1  0.069  0.685  0.640  1.0
  O  O34  1  0.328  0.948  0.891  1.0
  O  O35  1  0.137  0.700  0.047  1.0
  O  O36  1  0.299  0.862  0.451  1.0
  O  O37  1  0.862  0.420  0.720  1.0
  O  O38  1  0.139  0.576  0.275  1.0
  O  O39  1  0.863  0.293  0.948  1.0
  O  O40  1  0.706  0.135  0.549  1.0
  O  O41  1  0.673  0.068  0.130  1.0
  O  O42  1  0.932  0.330  0.373  1.0
  O  O43  1  0.405  0.692  0.560  1.0
  O  O44  1  0.307  0.592  0.940  1.0
  O  O45  1  0.653  0.863  0.558  1.0
  O  O46  1  0.138  0.349  0.943  1.0
  O  O47  1  0.945  0.077  0.129  1.0
  O  O48  1  0.928  0.060  0.377  1.0
  O  O49  1  0.299  0.342  0.215  1.0
  O  O50  1  0.358  0.298  0.719  1.0
  O  O51  1  0.415  0.347  0.053  1.0
  O  O52  1  0.653  0.585  0.447  1.0
  O  O53  1  0.578  0.133  0.775  1.0
[/CIF]
.
The material structure described by Li4Co2C4SO16 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(13), one O(2), one O(22), one O(23), and one O(3) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-84°. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(19), one O(20), one O(27), one O(3), and one O(4) atom. In the third Li site, Li(3) is bonded to one O(12), one O(14), one O(16), one O(31), one O(5), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-61°. In the fourth Li site, Li(4) is bonded to one O(1), one O(11), one O(13), one O(28), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-82°. In the fifth Li site, Li(5) is bonded to one O(17), one O(18), one O(2), one O(21), one O(26), and one O(28) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, and  an edgeedge with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 79-84°. In the sixth Li site, Li(6) is bonded to one O(18), one O(19), one O(24), one O(25), one O(6), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-79°. In the seventh Li site, Li(7) is bonded to one O(13), one O(15), one O(29), one O(30), one O(32), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-65°. In the eighth Li site, Li(8) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(20), one O(21), one O(30), and one O(31) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(15), one O(19), one O(24), one O(32), and one O(9) atom to form CoO6 octahedra that share  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, and  an edgeedge with one Li(7)O6 octahedra. In the second Co site, Co(2) is bonded to one O(10), one O(23), one O(29), one O(3), one O(30), and one O(4) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra and  an edgeedge with one Li(7)O6 octahedra. In the third Co site, Co(3) is bonded to one O(14), one O(16), one O(17), one O(18), one O(25), and one O(8) atom to form CoO6 octahedra that share  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, and  an edgeedge with one Li(6)O6 octahedra. In the fourth Co site, Co(4) is bonded to one O(11), one O(2), one O(22), one O(28), one O(31), and one O(5) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, and  an edgeedge with one Li(5)O6 octahedra. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), one O(29), and one O(9) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(8) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(10), one O(18), and one O(32) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(11), one O(16), and one O(19) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(1), one O(14), and one O(23) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(15), one O(17), and one O(22) atom. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one O(24), one O(31), and one O(4) atom. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one O(25), one O(28), and one O(30) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(12), one O(13), one O(6), and one O(7) atom to form SO4 tetrahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, and  an edgeedge with one Li(7)O6 octahedra. In the second S site, S(2) is bonded to one O(20), one O(21), one O(26), and one O(27) atom to form SO4 tetrahedra that share  an edgeedge with one Li(5)O6 octahedra. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Co(1), and one C(5) atom to form distorted OLi2CoC tetrahedra that share  a cornercorner with one O(3)Li2CoC tetrahedra,  a cornercorner with one O(13)Li3S trigonal pyramid, and  a cornercorner with one O(7)Li3S trigonal pyramid. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Co(4), and one C(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Co(2), and one C(2) atom to form distorted OLi2CoC tetrahedra that share  a cornercorner with one O(1)Li2CoC tetrahedra and  a cornercorner with one O(13)Li3S trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one C(7) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(4), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(6), one Li(7), and one S(1) atom. In the seventh O site, O(7) is bonded to one Li(3), one Li(4), one Li(6), and one S(1) atom to form OLi3S trigonal pyramids that share  a cornercorner with one O(1)Li2CoC tetrahedra and  an edgeedge with one O(13)Li3S trigonal pyramid. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Co(3) and one C(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(1), and one C(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(8), one Co(2), and one C(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(4), one Li(8), one Co(4), and one C(4) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Li(1), one Li(3), and one S(1) atom. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(4), one Li(7), and one S(1) atom to form OLi3S trigonal pyramids that share  a cornercorner with one O(1)Li2CoC tetrahedra,  a cornercorner with one O(3)Li2CoC tetrahedra, and  an edgeedge with one O(7)Li3S trigonal pyramid. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(3), one Co(3), and one C(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Li(7), one Co(1), and one C(6) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(3), and one C(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(5), one Co(3), and one C(6) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(5), one Li(6), one Co(3), and one C(3) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Li(2), one Li(6), one Co(1), and one C(4) atom. In the twentieth O site, O(20) is bonded in a distorted T-shaped geometry to one Li(2), one Li(8), and one S(2) atom. In the twenty-first O site, O(21) is bonded in a distorted T-shaped geometry to one Li(5), one Li(8), and one S(2) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Co(4), and one C(6) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Co(2), and one C(5) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal non-coplanar geometry to one Li(6), one Co(1), and one C(7) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal non-coplanar geometry to one Li(6), one Co(3), and one C(8) atom. In the twenty-sixth O site, O(26) is bonded in an L-shaped geometry to one Li(5) and one S(2) atom. In the twenty-seventh O site, O(27) is bonded in an L-shaped geometry to one Li(2) and one S(2) atom. In the twenty-eighth O site, O(28) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Co(4), and one C(8) atom. In the twenty-ninth O site, O(29) is bonded in a distorted trigonal planar geometry to one Li(7), one Co(2), and one C(1) atom. In the thirtieth O site, O(30) is bonded in a 4-coordinate geometry to one Li(7), one Li(8), one Co(2), and one C(8) atom. In the thirty-first O site, O(31) is bonded in a 4-coordinate geometry to one Li(3), one Li(8), one Co(4), and one C(7) atom. In the thirty-second O site, O(32) is bonded in a distorted trigonal planar geometry to one Li(7), one Co(1), and one C(3) atom. is represented by the CIF file [CIF]
data_Li4Co2C4SO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.146
_cell_length_b   9.156
_cell_length_c   9.243
_cell_angle_alpha   118.925
_cell_angle_beta   118.896
_cell_angle_gamma   91.291
_symmetry_Int_Tables_number   1
_cell_volume   558.934
_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  0.334  0.664  0.748  1.0
  Li  Li1  1  0.678  0.915  0.249  1.0
  Li  Li2  1  0.919  0.673  0.762  1.0
  Li  Li3  1  0.329  0.083  0.175  1.0
  Li  Li4  1  0.074  0.337  0.255  1.0
  Li  Li5  1  0.914  0.085  0.749  1.0
  Li  Li6  1  0.323  0.078  0.730  1.0
  Li  Li7  1  0.680  0.340  0.255  1.0
  Co  Co8  1  0.501  0.998  0.499  1.0
  Co  Co9  1  0.500  0.499  0.998  1.0
  Co  Co10  1  0.999  0.499  0.998  1.0
  Co  Co11  1  0.499  0.499  0.500  1.0
  C  C12  1  0.355  0.284  0.572  1.0
  C  C13  1  0.716  0.643  0.924  1.0
  C  C14  1  0.710  0.277  0.925  1.0
  C  C15  1  0.721  0.287  0.571  1.0
  C  C16  1  0.287  0.718  0.068  1.0
  C  C17  1  0.281  0.710  0.426  1.0
  C  C18  1  0.646  0.715  0.424  1.0
  C  C19  1  0.283  0.349  0.071  1.0
  S  S20  1  0.129  0.881  0.761  1.0
  S  S21  1  0.872  0.130  0.252  1.0
  O  O22  1  0.416  0.870  0.214  1.0
  O  O23  1  0.343  0.414  0.549  1.0
  O  O24  1  0.586  0.655  0.949  1.0
  O  O25  1  0.638  0.698  0.274  1.0
  O  O26  1  0.699  0.643  0.777  1.0
  O  O27  1  0.069  0.957  0.641  1.0
  O  O28  1  0.060  0.943  0.891  1.0
  O  O29  1  0.856  0.638  0.050  1.0
  O  O30  1  0.359  0.142  0.444  1.0
  O  O31  1  0.693  0.402  0.058  1.0
  O  O32  1  0.593  0.301  0.436  1.0
  O  O33  1  0.069  0.685  0.640  1.0
  O  O34  1  0.328  0.948  0.891  1.0
  O  O35  1  0.137  0.700  0.047  1.0
  O  O36  1  0.299  0.862  0.451  1.0
  O  O37  1  0.862  0.420  0.720  1.0
  O  O38  1  0.139  0.576  0.275  1.0
  O  O39  1  0.863  0.293  0.948  1.0
  O  O40  1  0.706  0.135  0.549  1.0
  O  O41  1  0.673  0.068  0.130  1.0
  O  O42  1  0.932  0.330  0.373  1.0
  O  O43  1  0.405  0.692  0.560  1.0
  O  O44  1  0.307  0.592  0.940  1.0
  O  O45  1  0.653  0.863  0.558  1.0
  O  O46  1  0.138  0.349  0.943  1.0
  O  O47  1  0.945  0.077  0.129  1.0
  O  O48  1  0.928  0.060  0.377  1.0
  O  O49  1  0.299  0.342  0.215  1.0
  O  O50  1  0.358  0.298  0.719  1.0
  O  O51  1  0.415  0.347  0.053  1.0
  O  O52  1  0.653  0.585  0.447  1.0
  O  O53  1  0.578  0.133  0.775  1.0
[/CIF]
.