Li2NiSnO4 is alpha Po-derived structured and crystallizes in the monoclinic C2/c 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(1) atoms to form LiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Li site, Li(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), two equivalent Ni(1), and one Sn(1) atom to form OLi3Ni2Sn octahedra that share corners with six equivalent O(1)Li3Ni2Sn octahedra, edges with four equivalent O(1)Li3Ni2Sn octahedra, and edges with eight equivalent O(2)Li3NiSn2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), one Ni(1), and two equivalent Sn(1) atoms to form OLi3NiSn2 octahedra that share corners with six equivalent O(2)Li3NiSn2 octahedra, edges with four equivalent O(2)Li3NiSn2 octahedra, and edges with eight equivalent O(1)Li3Ni2Sn octahedra. The corner-sharing octahedra are not tilted.
Li2NiSnO4 is alpha Po-derived structured and crystallizes in the monoclinic C2/c 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(1) atoms to form LiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. Both Li(1)-O(2) bond lengths are 2.13 Å. There are two shorter (2.23 Å) and two longer (2.26 Å) Li(1)-O(1) bond lengths. In the second Li site, Li(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. Both Li(2)-O(1) bond lengths are 2.21 Å. There are two shorter (2.22 Å) and two longer (2.25 Å) Li(2)-O(2) bond lengths. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. Both Ni(1)-O(2) bond lengths are 2.13 Å. All Ni(1)-O(1) bond lengths are 2.12 Å. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. Both Sn(1)-O(1) bond lengths are 2.05 Å. There are two shorter (2.13 Å) and two longer (2.14 Å) Sn(1)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), two equivalent Ni(1), and one Sn(1) atom to form OLi3Ni2Sn octahedra that share corners with six equivalent O(1)Li3Ni2Sn octahedra, edges with four equivalent O(1)Li3Ni2Sn octahedra, and edges with eight equivalent O(2)Li3NiSn2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), one Ni(1), and two equivalent Sn(1) atoms to form OLi3NiSn2 octahedra that share corners with six equivalent O(2)Li3NiSn2 octahedra, edges with four equivalent O(2)Li3NiSn2 octahedra, and edges with eight equivalent O(1)Li3Ni2Sn octahedra. The corner-sharing octahedra are not tilted.