Li2CoSnO4 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 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 Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. 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 Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. Sn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SnO6 octahedra that share corners with six 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 Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one Co(1), and two equivalent Sn(1) atoms to form OLi3CoSn2 octahedra that share corners with six equivalent O(1)Li3CoSn2 octahedra, edges with four equivalent O(1)Li3CoSn2 octahedra, and edges with eight equivalent O(2)Li3Co2Sn 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), two equivalent Co(1), and one Sn(1) atom to form OLi3Co2Sn octahedra that share corners with six equivalent O(2)Li3Co2Sn octahedra, edges with four equivalent O(2)Li3Co2Sn octahedra, and edges with eight equivalent O(1)Li3CoSn2 octahedra. The corner-sharing octahedra are not tilted.
Li2CoSnO4 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 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 Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. Both Li(1)-O(2) bond lengths are 2.30 Å. There are two shorter (2.21 Å) and two longer (2.23 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 Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. Both Li(2)-O(1) bond lengths are 2.17 Å. There are two shorter (2.22 Å) and two longer (2.24 Å) Li(2)-O(2) bond lengths. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. Both Co(1)-O(1) bond lengths are 2.20 Å. All Co(1)-O(2) bond lengths are 2.13 Å. Sn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SnO6 octahedra that share corners with six 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 Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. Both Sn(1)-O(2) bond lengths are 2.07 Å. All Sn(1)-O(1) bond lengths are 2.13 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one Co(1), and two equivalent Sn(1) atoms to form OLi3CoSn2 octahedra that share corners with six equivalent O(1)Li3CoSn2 octahedra, edges with four equivalent O(1)Li3CoSn2 octahedra, and edges with eight equivalent O(2)Li3Co2Sn 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), two equivalent Co(1), and one Sn(1) atom to form OLi3Co2Sn octahedra that share corners with six equivalent O(2)Li3Co2Sn octahedra, edges with four equivalent O(2)Li3Co2Sn octahedra, and edges with eight equivalent O(1)Li3CoSn2 octahedra. The corner-sharing octahedra are not tilted.