Ag3Sn is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to six equivalent Ag(1) and six equivalent Ag(2) atoms to form AgAg12 cuboctahedra that share corners with six equivalent Ag(1)Ag12 cuboctahedra, corners with twelve equivalent Sn(1)Ag6Sn6 cuboctahedra, edges with six equivalent Ag(1)Ag12 cuboctahedra, edges with twelve equivalent Ag(2)Ag9Sn3 cuboctahedra, faces with two equivalent Sn(1)Ag6Sn6 cuboctahedra, faces with six equivalent Ag(1)Ag12 cuboctahedra, and faces with twelve equivalent Ag(2)Ag9Sn3 cuboctahedra. In the second Ag site, Ag(2) is bonded to three equivalent Ag(1), six equivalent Ag(2), and three equivalent Sn(1) atoms to form AgAg9Sn3 cuboctahedra that share corners with eighteen equivalent Ag(2)Ag9Sn3 cuboctahedra, edges with six equivalent Ag(1)Ag12 cuboctahedra, edges with six equivalent Ag(2)Ag9Sn3 cuboctahedra, edges with six equivalent Sn(1)Ag6Sn6 cuboctahedra, faces with six equivalent Ag(1)Ag12 cuboctahedra, faces with six equivalent Sn(1)Ag6Sn6 cuboctahedra, and faces with eight equivalent Ag(2)Ag9Sn3 cuboctahedra. Sn(1) is bonded to six equivalent Ag(2) and six equivalent Sn(1) atoms to form SnAg6Sn6 cuboctahedra that share corners with six equivalent Sn(1)Ag6Sn6 cuboctahedra, corners with twelve equivalent Ag(1)Ag12 cuboctahedra, edges with six equivalent Sn(1)Ag6Sn6 cuboctahedra, edges with twelve equivalent Ag(2)Ag9Sn3 cuboctahedra, faces with two equivalent Ag(1)Ag12 cuboctahedra, faces with six equivalent Sn(1)Ag6Sn6 cuboctahedra, and faces with twelve equivalent Ag(2)Ag9Sn3 cuboctahedra.
Ag3Sn is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to six equivalent Ag(1) and six equivalent Ag(2) atoms to form AgAg12 cuboctahedra that share corners with six equivalent Ag(1)Ag12 cuboctahedra, corners with twelve equivalent Sn(1)Ag6Sn6 cuboctahedra, edges with six equivalent Ag(1)Ag12 cuboctahedra, edges with twelve equivalent Ag(2)Ag9Sn3 cuboctahedra, faces with two equivalent Sn(1)Ag6Sn6 cuboctahedra, faces with six equivalent Ag(1)Ag12 cuboctahedra, and faces with twelve equivalent Ag(2)Ag9Sn3 cuboctahedra. All Ag(1)-Ag(1) bond lengths are 3.11 Å. All Ag(1)-Ag(2) bond lengths are 2.93 Å. In the second Ag site, Ag(2) is bonded to three equivalent Ag(1), six equivalent Ag(2), and three equivalent Sn(1) atoms to form AgAg9Sn3 cuboctahedra that share corners with eighteen equivalent Ag(2)Ag9Sn3 cuboctahedra, edges with six equivalent Ag(1)Ag12 cuboctahedra, edges with six equivalent Ag(2)Ag9Sn3 cuboctahedra, edges with six equivalent Sn(1)Ag6Sn6 cuboctahedra, faces with six equivalent Ag(1)Ag12 cuboctahedra, faces with six equivalent Sn(1)Ag6Sn6 cuboctahedra, and faces with eight equivalent Ag(2)Ag9Sn3 cuboctahedra. All Ag(2)-Ag(2) bond lengths are 3.11 Å. All Ag(2)-Sn(1) bond lengths are 3.10 Å. Sn(1) is bonded to six equivalent Ag(2) and six equivalent Sn(1) atoms to form SnAg6Sn6 cuboctahedra that share corners with six equivalent Sn(1)Ag6Sn6 cuboctahedra, corners with twelve equivalent Ag(1)Ag12 cuboctahedra, edges with six equivalent Sn(1)Ag6Sn6 cuboctahedra, edges with twelve equivalent Ag(2)Ag9Sn3 cuboctahedra, faces with two equivalent Ag(1)Ag12 cuboctahedra, faces with six equivalent Sn(1)Ag6Sn6 cuboctahedra, and faces with twelve equivalent Ag(2)Ag9Sn3 cuboctahedra. All Sn(1)-Sn(1) bond lengths are 3.11 Å.