Li3Ni2SnO6 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Sn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the second Li site, Li(2) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form LiO6 octahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with five equivalent Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. Ni(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with five equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. Sn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form SnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(2), two equivalent Ni(1), and one Sn(1) atom to form OLi3Ni2Sn octahedra that share  a cornercorner with one O(1)Li3Ni2Sn octahedra,  a cornercorner with one O(3)Li3NiSn2 octahedra, corners with four equivalent O(2)Li3Ni3 octahedra, edges with four equivalent O(1)Li3Ni2Sn octahedra, edges with four equivalent O(2)Li3Ni3 octahedra, and edges with four equivalent O(3)Li3NiSn2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and three equivalent Ni(1) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(2)Li3Ni3 octahedra,  a cornercorner with one O(3)Li3NiSn2 octahedra, corners with four equivalent O(1)Li3Ni2Sn octahedra, edges with four equivalent O(1)Li3Ni2Sn octahedra, edges with four equivalent O(2)Li3Ni3 octahedra, and edges with four equivalent O(3)Li3NiSn2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), one Ni(1), and two equivalent Sn(1) atoms to form OLi3NiSn2 octahedra that share  a cornercorner with one O(1)Li3Ni2Sn octahedra,  a cornercorner with one O(2)Li3Ni3 octahedra, corners with four equivalent O(3)Li3NiSn2 octahedra, edges with four equivalent O(1)Li3Ni2Sn octahedra, edges with four equivalent O(2)Li3Ni3 octahedra, and edges with four equivalent O(3)Li3NiSn2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°.
Li3Ni2SnO6 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Sn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. Both Li(1)-O(2) bond lengths are 2.16 Å. All Li(1)-O(3) bond lengths are 2.17 Å. In the second Li site, Li(2) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form LiO6 octahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with five equivalent Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. The Li(2)-O(3) bond length is 2.24 Å. Both Li(2)-O(2) bond lengths are 2.14 Å. There is one shorter (2.07 Å) and two longer (2.30 Å) Li(2)-O(1) bond lengths. Ni(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with five equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. The Ni(1)-O(3) bond length is 2.21 Å. Both Ni(1)-O(1) bond lengths are 2.09 Å. There are two shorter (2.03 Å) and one longer (2.07 Å) Ni(1)-O(2) bond length. Sn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form SnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. Both Sn(1)-O(1) bond lengths are 2.08 Å. All Sn(1)-O(3) bond lengths are 2.09 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(2), two equivalent Ni(1), and one Sn(1) atom to form OLi3Ni2Sn octahedra that share  a cornercorner with one O(1)Li3Ni2Sn octahedra,  a cornercorner with one O(3)Li3NiSn2 octahedra, corners with four equivalent O(2)Li3Ni3 octahedra, edges with four equivalent O(1)Li3Ni2Sn octahedra, edges with four equivalent O(2)Li3Ni3 octahedra, and edges with four equivalent O(3)Li3NiSn2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and three equivalent Ni(1) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(2)Li3Ni3 octahedra,  a cornercorner with one O(3)Li3NiSn2 octahedra, corners with four equivalent O(1)Li3Ni2Sn octahedra, edges with four equivalent O(1)Li3Ni2Sn octahedra, edges with four equivalent O(2)Li3Ni3 octahedra, and edges with four equivalent O(3)Li3NiSn2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), one Ni(1), and two equivalent Sn(1) atoms to form OLi3NiSn2 octahedra that share  a cornercorner with one O(1)Li3Ni2Sn octahedra,  a cornercorner with one O(2)Li3Ni3 octahedra, corners with four equivalent O(3)Li3NiSn2 octahedra, edges with four equivalent O(1)Li3Ni2Sn octahedra, edges with four equivalent O(2)Li3Ni3 octahedra, and edges with four equivalent O(3)Li3NiSn2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°.