InSn3 crystallizes in the hexagonal P-6m2 space group. In(1) is bonded to six equivalent In(1) and six equivalent Sn(2) atoms to form InIn6Sn6 cuboctahedra that share corners with six equivalent In(1)In6Sn6 cuboctahedra, corners with twelve equivalent Sn(1)Sn12 cuboctahedra, edges with six equivalent In(1)In6Sn6 cuboctahedra, edges with twelve equivalent Sn(2)In3Sn9 cuboctahedra, faces with two equivalent Sn(1)Sn12 cuboctahedra, faces with six equivalent In(1)In6Sn6 cuboctahedra, and faces with twelve equivalent Sn(2)In3Sn9 cuboctahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to six equivalent Sn(1) and six equivalent Sn(2) atoms to form SnSn12 cuboctahedra that share corners with six equivalent Sn(1)Sn12 cuboctahedra, corners with twelve equivalent In(1)In6Sn6 cuboctahedra, edges with six equivalent Sn(1)Sn12 cuboctahedra, edges with twelve equivalent Sn(2)In3Sn9 cuboctahedra, faces with two equivalent In(1)In6Sn6 cuboctahedra, faces with six equivalent Sn(1)Sn12 cuboctahedra, and faces with twelve equivalent Sn(2)In3Sn9 cuboctahedra. In the second Sn site, Sn(2) is bonded to three equivalent In(1), three equivalent Sn(1), and six equivalent Sn(2) atoms to form SnIn3Sn9 cuboctahedra that share corners with eighteen equivalent Sn(2)In3Sn9 cuboctahedra, edges with six equivalent In(1)In6Sn6 cuboctahedra, edges with six equivalent Sn(2)In3Sn9 cuboctahedra, edges with six equivalent Sn(1)Sn12 cuboctahedra, faces with six equivalent In(1)In6Sn6 cuboctahedra, faces with six equivalent Sn(1)Sn12 cuboctahedra, and faces with eight equivalent Sn(2)In3Sn9 cuboctahedra.
InSn3 crystallizes in the hexagonal P-6m2 space group. In(1) is bonded to six equivalent In(1) and six equivalent Sn(2) atoms to form InIn6Sn6 cuboctahedra that share corners with six equivalent In(1)In6Sn6 cuboctahedra, corners with twelve equivalent Sn(1)Sn12 cuboctahedra, edges with six equivalent In(1)In6Sn6 cuboctahedra, edges with twelve equivalent Sn(2)In3Sn9 cuboctahedra, faces with two equivalent Sn(1)Sn12 cuboctahedra, faces with six equivalent In(1)In6Sn6 cuboctahedra, and faces with twelve equivalent Sn(2)In3Sn9 cuboctahedra. All In(1)-In(1) bond lengths are 3.31 Å. All In(1)-Sn(2) bond lengths are 3.45 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to six equivalent Sn(1) and six equivalent Sn(2) atoms to form SnSn12 cuboctahedra that share corners with six equivalent Sn(1)Sn12 cuboctahedra, corners with twelve equivalent In(1)In6Sn6 cuboctahedra, edges with six equivalent Sn(1)Sn12 cuboctahedra, edges with twelve equivalent Sn(2)In3Sn9 cuboctahedra, faces with two equivalent In(1)In6Sn6 cuboctahedra, faces with six equivalent Sn(1)Sn12 cuboctahedra, and faces with twelve equivalent Sn(2)In3Sn9 cuboctahedra. All Sn(1)-Sn(1) bond lengths are 3.31 Å. All Sn(1)-Sn(2) bond lengths are 3.40 Å. In the second Sn site, Sn(2) is bonded to three equivalent In(1), three equivalent Sn(1), and six equivalent Sn(2) atoms to form SnIn3Sn9 cuboctahedra that share corners with eighteen equivalent Sn(2)In3Sn9 cuboctahedra, edges with six equivalent In(1)In6Sn6 cuboctahedra, edges with six equivalent Sn(2)In3Sn9 cuboctahedra, edges with six equivalent Sn(1)Sn12 cuboctahedra, faces with six equivalent In(1)In6Sn6 cuboctahedra, faces with six equivalent Sn(1)Sn12 cuboctahedra, and faces with eight equivalent Sn(2)In3Sn9 cuboctahedra. All Sn(2)-Sn(2) bond lengths are 3.31 Å.