Li4Co3Ni2Sn3O16 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 LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(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 54-64°. In the second Li site, Li(2) is bonded in a 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 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 Sn(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 Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. 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,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. 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 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. 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 NiO6 octahedra that share corners with two equivalent Sn(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 Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. 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 Sn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sn(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. There are two inequivalent Sn sites. In the first Sn site, Sn(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 SnO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. In the second Sn site, Sn(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form SnO6 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 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. 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 Sn(2) atom. In the second O site, O(2) is bonded to one Li(4), one Ni(1), and two equivalent Sn(1) atoms to form distorted OLiNiSn2 tetrahedra that share corners with two equivalent O(4)LiCoSn2 tetrahedra,  a cornercorner with one O(8)LiCo2Ni trigonal pyramid, corners with two equivalent O(6)LiCoNiSn trigonal pyramids, and edges with two equivalent O(6)LiCoNiSn trigonal pyramids. 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 Sn(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Co(1), and two equivalent Sn(1) atoms to form distorted OLiCoSn2 tetrahedra that share corners with two equivalent O(2)LiNiSn2 tetrahedra,  a cornercorner with one O(8)LiCo2Ni trigonal pyramid, and corners with four equivalent O(6)LiCoNiSn trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Co(2), and one Sn(2) atom to form distorted OLiCo2Sn tetrahedra that share corners with two equivalent O(12)LiCo2Ni tetrahedra, corners with four equivalent O(9)LiCoNiSn tetrahedra, 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 Sn(1) atom to form distorted OLiCoNiSn trigonal pyramids that share  a cornercorner with one O(2)LiNiSn2 tetrahedra, corners with two equivalent O(4)LiCoSn2 tetrahedra,  a cornercorner with one O(8)LiCo2Ni trigonal pyramid,  a cornercorner with one O(6)LiCoNiSn trigonal pyramid,  an edgeedge with one O(2)LiNiSn2 tetrahedra, and  an edgeedge with one O(6)LiCoNiSn trigonal pyramid. 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 Sn(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)LiCoSn2 tetrahedra,  a cornercorner with one O(2)LiNiSn2 tetrahedra, corners with two equivalent O(12)LiCo2Ni tetrahedra, corners with two equivalent O(9)LiCoNiSn tetrahedra, corners with two equivalent O(6)LiCoNiSn trigonal pyramids, and  an edgeedge with one O(5)LiCo2Sn tetrahedra. In the ninth O site, O(9) is bonded to one Li(1), one Co(2), one Ni(2), and one Sn(2) atom to form distorted OLiCoNiSn tetrahedra that share  a cornercorner with one O(12)LiCo2Ni tetrahedra,  a cornercorner with one O(9)LiCoNiSn tetrahedra, corners with two equivalent O(5)LiCo2Sn tetrahedra,  a cornercorner with one O(8)LiCo2Ni trigonal pyramid,  an edgeedge with one O(12)LiCo2Ni tetrahedra, and  an edgeedge with one O(9)LiCoNiSn tetrahedra. 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 Sn(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Ni(2), and one Sn(1) atom. 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)LiCo2Sn tetrahedra, corners with two equivalent O(9)LiCoNiSn tetrahedra, corners with two equivalent O(8)LiCo2Ni trigonal pyramids, and edges with two equivalent O(9)LiCoNiSn tetrahedra.
Li4Co3Ni2Sn3O16 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 LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Sn(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 54-64°. The Li(1)-O(12) bond length is 2.10 Å. The Li(1)-O(3) bond length is 2.05 Å. Both Li(1)-O(9) bond lengths are 1.94 Å. In the second Li site, Li(2) is bonded in a 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 1.76 Å. The Li(2)-O(7) bond length is 2.08 Å. Both Li(2)-O(11) bond lengths are 1.89 Å. In the third Li site, Li(3) is bonded in a 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 1.78 Å. The Li(3)-O(8) bond length is 1.85 Å. Both Li(3)-O(1) bond lengths are 1.96 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 Sn(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 Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. The Li(4)-O(10) bond length is 2.02 Å. The Li(4)-O(2) bond length is 1.89 Å. Both Li(4)-O(6) bond lengths are 2.03 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,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. The Co(1)-O(3) bond length is 1.95 Å. The Co(1)-O(4) bond length is 1.90 Å. Both Co(1)-O(11) bond lengths are 1.92 Å. Both Co(1)-O(6) bond lengths are 1.91 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 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. The Co(2)-O(1) bond length is 1.90 Å. The Co(2)-O(10) bond length is 1.94 Å. The Co(2)-O(12) bond length is 1.92 Å. The Co(2)-O(5) bond length is 1.93 Å. The Co(2)-O(8) bond length is 1.95 Å. The Co(2)-O(9) bond length is 1.89 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 NiO6 octahedra that share corners with two equivalent Sn(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 Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. The Ni(1)-O(2) bond length is 2.09 Å. The Ni(1)-O(8) bond length is 2.17 Å. Both Ni(1)-O(1) bond lengths are 2.10 Å. Both Ni(1)-O(6) bond lengths are 2.20 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 Sn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sn(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. The Ni(2)-O(12) bond length is 2.23 Å. The Ni(2)-O(7) bond length is 2.07 Å. Both Ni(2)-O(11) bond lengths are 2.13 Å. Both Ni(2)-O(9) bond lengths are 2.11 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(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 SnO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. The Sn(1)-O(11) bond length is 2.10 Å. The Sn(1)-O(2) bond length is 2.06 Å. The Sn(1)-O(3) bond length is 2.08 Å. The Sn(1)-O(4) bond length is 2.07 Å. The Sn(1)-O(6) bond length is 2.09 Å. The Sn(1)-O(7) bond length is 2.07 Å. In the second Sn site, Sn(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form SnO6 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 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. The Sn(2)-O(10) bond length is 2.08 Å. The Sn(2)-O(5) bond length is 2.07 Å. Both Sn(2)-O(1) bond lengths are 2.10 Å. Both Sn(2)-O(9) bond lengths are 2.08 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 Sn(2) atom. In the second O site, O(2) is bonded to one Li(4), one Ni(1), and two equivalent Sn(1) atoms to form distorted OLiNiSn2 tetrahedra that share corners with two equivalent O(4)LiCoSn2 tetrahedra,  a cornercorner with one O(8)LiCo2Ni trigonal pyramid, corners with two equivalent O(6)LiCoNiSn trigonal pyramids, and edges with two equivalent O(6)LiCoNiSn trigonal pyramids. 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 Sn(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Co(1), and two equivalent Sn(1) atoms to form distorted OLiCoSn2 tetrahedra that share corners with two equivalent O(2)LiNiSn2 tetrahedra,  a cornercorner with one O(8)LiCo2Ni trigonal pyramid, and corners with four equivalent O(6)LiCoNiSn trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Co(2), and one Sn(2) atom to form distorted OLiCo2Sn tetrahedra that share corners with two equivalent O(12)LiCo2Ni tetrahedra, corners with four equivalent O(9)LiCoNiSn tetrahedra, 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 Sn(1) atom to form distorted OLiCoNiSn trigonal pyramids that share  a cornercorner with one O(2)LiNiSn2 tetrahedra, corners with two equivalent O(4)LiCoSn2 tetrahedra,  a cornercorner with one O(8)LiCo2Ni trigonal pyramid,  a cornercorner with one O(6)LiCoNiSn trigonal pyramid,  an edgeedge with one O(2)LiNiSn2 tetrahedra, and  an edgeedge with one O(6)LiCoNiSn trigonal pyramid. 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 Sn(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)LiCoSn2 tetrahedra,  a cornercorner with one O(2)LiNiSn2 tetrahedra, corners with two equivalent O(12)LiCo2Ni tetrahedra, corners with two equivalent O(9)LiCoNiSn tetrahedra, corners with two equivalent O(6)LiCoNiSn trigonal pyramids, and  an edgeedge with one O(5)LiCo2Sn tetrahedra. In the ninth O site, O(9) is bonded to one Li(1), one Co(2), one Ni(2), and one Sn(2) atom to form distorted OLiCoNiSn tetrahedra that share  a cornercorner with one O(12)LiCo2Ni tetrahedra,  a cornercorner with one O(9)LiCoNiSn tetrahedra, corners with two equivalent O(5)LiCo2Sn tetrahedra,  a cornercorner with one O(8)LiCo2Ni trigonal pyramid,  an edgeedge with one O(12)LiCo2Ni tetrahedra, and  an edgeedge with one O(9)LiCoNiSn tetrahedra. 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 Sn(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Ni(2), and one Sn(1) atom. 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)LiCo2Sn tetrahedra, corners with two equivalent O(9)LiCoNiSn tetrahedra, corners with two equivalent O(8)LiCo2Ni trigonal pyramids, and edges with two equivalent O(9)LiCoNiSn tetrahedra.