Li2Ni3SnO8 is Spinel-derived structured and crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra and corners with nine equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-61°. In the second Li site, Li(2) is bonded to one O(4) and three equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. Ni(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form NiO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Sn(1)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. Sn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ni(1), and one Sn(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Ni(1), and one Sn(1) atom to form distorted OLiNi2Sn tetrahedra that share corners with two equivalent O(2)LiNi2Sn tetrahedra, corners with two equivalent O(4)LiNi3 tetrahedra,  a cornercorner with one O(3)LiNi3 trigonal pyramid, edges with two equivalent O(2)LiNi2Sn tetrahedra, and  an edgeedge with one O(3)LiNi3 trigonal pyramid. In the third O site, O(3) is bonded to one Li(1) and three equivalent Ni(1) atoms to form distorted OLiNi3 trigonal pyramids that share corners with three equivalent O(2)LiNi2Sn tetrahedra, corners with three equivalent O(4)LiNi3 tetrahedra, and edges with three equivalent O(2)LiNi2Sn tetrahedra. In the fourth O site, O(4) is bonded to one Li(2) and three equivalent Ni(1) atoms to form OLiNi3 tetrahedra that share corners with six equivalent O(2)LiNi2Sn tetrahedra and corners with three equivalent O(3)LiNi3 trigonal pyramids.
Li2Ni3SnO8 is Spinel-derived structured and crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra and corners with nine equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-61°. The Li(1)-O(3) bond length is 2.10 Å. All Li(1)-O(2) bond lengths are 1.93 Å. In the second Li site, Li(2) is bonded to one O(4) and three equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. The Li(2)-O(4) bond length is 1.81 Å. All Li(2)-O(1) bond lengths are 1.90 Å. Ni(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form NiO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Sn(1)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. The Ni(1)-O(3) bond length is 1.93 Å. The Ni(1)-O(4) bond length is 1.92 Å. Both Ni(1)-O(1) bond lengths are 1.99 Å. Both Ni(1)-O(2) bond lengths are 1.96 Å. Sn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Sn(1)-O(1) bond lengths are 2.05 Å. All Sn(1)-O(2) bond lengths are 2.14 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ni(1), and one Sn(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Ni(1), and one Sn(1) atom to form distorted OLiNi2Sn tetrahedra that share corners with two equivalent O(2)LiNi2Sn tetrahedra, corners with two equivalent O(4)LiNi3 tetrahedra,  a cornercorner with one O(3)LiNi3 trigonal pyramid, edges with two equivalent O(2)LiNi2Sn tetrahedra, and  an edgeedge with one O(3)LiNi3 trigonal pyramid. In the third O site, O(3) is bonded to one Li(1) and three equivalent Ni(1) atoms to form distorted OLiNi3 trigonal pyramids that share corners with three equivalent O(2)LiNi2Sn tetrahedra, corners with three equivalent O(4)LiNi3 tetrahedra, and edges with three equivalent O(2)LiNi2Sn tetrahedra. In the fourth O site, O(4) is bonded to one Li(2) and three equivalent Ni(1) atoms to form OLiNi3 tetrahedra that share corners with six equivalent O(2)LiNi2Sn tetrahedra and corners with three equivalent O(3)LiNi3 trigonal pyramids.