Li4Co3Ni2Sb3O16 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-65°. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Sb(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-69°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Ni(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted NiO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-56°. In the second Ni site, Ni(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, corners with three equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form SbO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the second Sb site, Sb(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form SbO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Ni(2)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(2), one Ni(1), and one Sb(2) atom. In the second O site, O(2) is bonded to one Li(4), one Ni(1), and two equivalent Sb(1) atoms to form distorted OLiNiSb2 tetrahedra that share corners with two equivalent O(6)LiCoNiSb tetrahedra, corners with two equivalent O(4)LiCoSb2 tetrahedra,  a cornercorner with one O(8)LiCo2Ni trigonal pyramid, corners with two equivalent O(11)LiCoNiSb trigonal pyramids, and edges with two equivalent O(6)LiCoNiSb tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Co(1), and two equivalent Sb(1) atoms to form distorted OLiCoSb2 tetrahedra that share corners with two equivalent O(2)LiNiSb2 tetrahedra, corners with four equivalent O(6)LiCoNiSb tetrahedra,  a cornercorner with one O(8)LiCo2Ni trigonal pyramid, and edges with two equivalent O(11)LiCoNiSb trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Co(2), and one Sb(2) atom to form distorted OLiCo2Sb tetrahedra that share corners with two equivalent O(12)LiCo2Ni tetrahedra, corners with two equivalent O(11)LiCoNiSb trigonal pyramids, and  an edgeedge with one O(8)LiCo2Ni trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(4), one Co(1), one Ni(1), and one Sb(1) atom to form distorted OLiCoNiSb tetrahedra that share  a cornercorner with one O(6)LiCoNiSb tetrahedra,  a cornercorner with one O(2)LiNiSb2 tetrahedra, corners with two equivalent O(4)LiCoSb2 tetrahedra,  a cornercorner with one O(8)LiCo2Ni trigonal pyramid, corners with three equivalent O(11)LiCoNiSb trigonal pyramids,  an edgeedge with one O(6)LiCoNiSb tetrahedra, and  an edgeedge with one O(2)LiNiSb2 tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(2), and two equivalent Sb(1) atoms. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Co(2), and one Ni(1) atom to form distorted OLiCo2Ni trigonal pyramids that share  a cornercorner with one O(4)LiCoSb2 tetrahedra,  a cornercorner with one O(2)LiNiSb2 tetrahedra, corners with two equivalent O(12)LiCo2Ni tetrahedra, corners with two equivalent O(6)LiCoNiSb tetrahedra, and  an edgeedge with one O(5)LiCo2Sb tetrahedra. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Co(2), one Ni(2), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), two equivalent Co(2), and one Sb(2) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Co(1), one Ni(2), and one Sb(1) atom to form distorted OLiCoNiSb trigonal pyramids that share  a cornercorner with one O(12)LiCo2Ni tetrahedra,  a cornercorner with one O(5)LiCo2Sb tetrahedra,  a cornercorner with one O(2)LiNiSb2 tetrahedra, corners with three equivalent O(6)LiCoNiSb tetrahedra,  a cornercorner with one O(11)LiCoNiSb trigonal pyramid,  an edgeedge with one O(4)LiCoSb2 tetrahedra, and  an edgeedge with one O(11)LiCoNiSb trigonal pyramid. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Co(2), and one Ni(2) atom to form distorted OLiCo2Ni tetrahedra that share corners with two equivalent O(5)LiCo2Sb tetrahedra, corners with two equivalent O(8)LiCo2Ni trigonal pyramids, and corners with two equivalent O(11)LiCoNiSb trigonal pyramids.
Li4Co3Ni2Sb3O16 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-65°. The Li(1)-O(12) bond length is 1.92 Å. The Li(1)-O(3) bond length is 2.32 Å. Both Li(1)-O(9) bond lengths are 1.93 Å. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. The Li(2)-O(5) bond length is 1.75 Å. The Li(2)-O(7) bond length is 2.14 Å. Both Li(2)-O(11) bond lengths are 1.91 Å. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. The Li(3)-O(4) bond length is 1.83 Å. The Li(3)-O(8) bond length is 1.81 Å. Both Li(3)-O(1) bond lengths are 1.94 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Sb(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-69°. The Li(4)-O(10) bond length is 1.99 Å. The Li(4)-O(2) bond length is 1.97 Å. Both Li(4)-O(6) bond lengths are 2.02 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Ni(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. The Co(1)-O(3) bond length is 1.96 Å. The Co(1)-O(4) bond length is 1.94 Å. Both Co(1)-O(11) bond lengths are 1.99 Å. Both Co(1)-O(6) bond lengths are 1.96 Å. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. The Co(2)-O(1) bond length is 1.99 Å. The Co(2)-O(10) bond length is 1.96 Å. The Co(2)-O(12) bond length is 1.96 Å. The Co(2)-O(5) bond length is 1.95 Å. The Co(2)-O(8) bond length is 1.98 Å. The Co(2)-O(9) bond length is 1.95 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted NiO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-56°. The Ni(1)-O(2) bond length is 2.34 Å. The Ni(1)-O(8) bond length is 1.97 Å. Both Ni(1)-O(1) bond lengths are 2.05 Å. Both Ni(1)-O(6) bond lengths are 2.34 Å. In the second Ni site, Ni(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, corners with three equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. The Ni(2)-O(12) bond length is 2.04 Å. The Ni(2)-O(7) bond length is 2.26 Å. Both Ni(2)-O(11) bond lengths are 2.19 Å. Both Ni(2)-O(9) bond lengths are 2.08 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form SbO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. The Sb(1)-O(11) bond length is 1.98 Å. The Sb(1)-O(2) bond length is 2.03 Å. The Sb(1)-O(3) bond length is 2.05 Å. The Sb(1)-O(4) bond length is 2.04 Å. The Sb(1)-O(6) bond length is 1.98 Å. The Sb(1)-O(7) bond length is 2.03 Å. In the second Sb site, Sb(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form SbO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Ni(2)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. The Sb(2)-O(10) bond length is 2.02 Å. The Sb(2)-O(5) bond length is 2.01 Å. Both Sb(2)-O(1) bond lengths are 2.03 Å. Both Sb(2)-O(9) bond lengths are 2.02 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(2), one Ni(1), and one Sb(2) atom. In the second O site, O(2) is bonded to one Li(4), one Ni(1), and two equivalent Sb(1) atoms to form distorted OLiNiSb2 tetrahedra that share corners with two equivalent O(6)LiCoNiSb tetrahedra, corners with two equivalent O(4)LiCoSb2 tetrahedra,  a cornercorner with one O(8)LiCo2Ni trigonal pyramid, corners with two equivalent O(11)LiCoNiSb trigonal pyramids, and edges with two equivalent O(6)LiCoNiSb tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Co(1), and two equivalent Sb(1) atoms to form distorted OLiCoSb2 tetrahedra that share corners with two equivalent O(2)LiNiSb2 tetrahedra, corners with four equivalent O(6)LiCoNiSb tetrahedra,  a cornercorner with one O(8)LiCo2Ni trigonal pyramid, and edges with two equivalent O(11)LiCoNiSb trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Co(2), and one Sb(2) atom to form distorted OLiCo2Sb tetrahedra that share corners with two equivalent O(12)LiCo2Ni tetrahedra, corners with two equivalent O(11)LiCoNiSb trigonal pyramids, and  an edgeedge with one O(8)LiCo2Ni trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(4), one Co(1), one Ni(1), and one Sb(1) atom to form distorted OLiCoNiSb tetrahedra that share  a cornercorner with one O(6)LiCoNiSb tetrahedra,  a cornercorner with one O(2)LiNiSb2 tetrahedra, corners with two equivalent O(4)LiCoSb2 tetrahedra,  a cornercorner with one O(8)LiCo2Ni trigonal pyramid, corners with three equivalent O(11)LiCoNiSb trigonal pyramids,  an edgeedge with one O(6)LiCoNiSb tetrahedra, and  an edgeedge with one O(2)LiNiSb2 tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ni(2), and two equivalent Sb(1) atoms. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Co(2), and one Ni(1) atom to form distorted OLiCo2Ni trigonal pyramids that share  a cornercorner with one O(4)LiCoSb2 tetrahedra,  a cornercorner with one O(2)LiNiSb2 tetrahedra, corners with two equivalent O(12)LiCo2Ni tetrahedra, corners with two equivalent O(6)LiCoNiSb tetrahedra, and  an edgeedge with one O(5)LiCo2Sb tetrahedra. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Co(2), one Ni(2), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), two equivalent Co(2), and one Sb(2) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Co(1), one Ni(2), and one Sb(1) atom to form distorted OLiCoNiSb trigonal pyramids that share  a cornercorner with one O(12)LiCo2Ni tetrahedra,  a cornercorner with one O(5)LiCo2Sb tetrahedra,  a cornercorner with one O(2)LiNiSb2 tetrahedra, corners with three equivalent O(6)LiCoNiSb tetrahedra,  a cornercorner with one O(11)LiCoNiSb trigonal pyramid,  an edgeedge with one O(4)LiCoSb2 tetrahedra, and  an edgeedge with one O(11)LiCoNiSb trigonal pyramid. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Co(2), and one Ni(2) atom to form distorted OLiCo2Ni tetrahedra that share corners with two equivalent O(5)LiCo2Sb tetrahedra, corners with two equivalent O(8)LiCo2Ni trigonal pyramids, and corners with two equivalent O(11)LiCoNiSb trigonal pyramids.