Pb3Sb is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to six equivalent Pb(1) and six equivalent Pb(2) atoms to form PbPb12 cuboctahedra that share corners with six equivalent Pb(1)Pb12 cuboctahedra, corners with twelve equivalent Sb(1)Sb6Pb6 cuboctahedra, edges with six equivalent Pb(1)Pb12 cuboctahedra, edges with twelve equivalent Pb(2)Sb3Pb9 cuboctahedra, faces with two equivalent Sb(1)Sb6Pb6 cuboctahedra, faces with six equivalent Pb(1)Pb12 cuboctahedra, and faces with twelve equivalent Pb(2)Sb3Pb9 cuboctahedra. In the second Pb site, Pb(2) is bonded to three equivalent Pb(1), six equivalent Pb(2), and three equivalent Sb(1) atoms to form distorted PbSb3Pb9 cuboctahedra that share corners with eighteen equivalent Pb(2)Sb3Pb9 cuboctahedra, edges with six equivalent Pb(1)Pb12 cuboctahedra, edges with six equivalent Pb(2)Sb3Pb9 cuboctahedra, edges with six equivalent Sb(1)Sb6Pb6 cuboctahedra, faces with six equivalent Pb(1)Pb12 cuboctahedra, faces with six equivalent Sb(1)Sb6Pb6 cuboctahedra, and faces with eight equivalent Pb(2)Sb3Pb9 cuboctahedra. Sb(1) is bonded to six equivalent Pb(2) and six equivalent Sb(1) atoms to form distorted SbSb6Pb6 cuboctahedra that share corners with six equivalent Sb(1)Sb6Pb6 cuboctahedra, corners with twelve equivalent Pb(1)Pb12 cuboctahedra, edges with six equivalent Sb(1)Sb6Pb6 cuboctahedra, edges with twelve equivalent Pb(2)Sb3Pb9 cuboctahedra, faces with two equivalent Pb(1)Pb12 cuboctahedra, faces with six equivalent Sb(1)Sb6Pb6 cuboctahedra, and faces with twelve equivalent Pb(2)Sb3Pb9 cuboctahedra.
Pb3Sb is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to six equivalent Pb(1) and six equivalent Pb(2) atoms to form PbPb12 cuboctahedra that share corners with six equivalent Pb(1)Pb12 cuboctahedra, corners with twelve equivalent Sb(1)Sb6Pb6 cuboctahedra, edges with six equivalent Pb(1)Pb12 cuboctahedra, edges with twelve equivalent Pb(2)Sb3Pb9 cuboctahedra, faces with two equivalent Sb(1)Sb6Pb6 cuboctahedra, faces with six equivalent Pb(1)Pb12 cuboctahedra, and faces with twelve equivalent Pb(2)Sb3Pb9 cuboctahedra. All Pb(1)-Pb(1) bond lengths are 3.46 Å. All Pb(1)-Pb(2) bond lengths are 3.59 Å. In the second Pb site, Pb(2) is bonded to three equivalent Pb(1), six equivalent Pb(2), and three equivalent Sb(1) atoms to form distorted PbSb3Pb9 cuboctahedra that share corners with eighteen equivalent Pb(2)Sb3Pb9 cuboctahedra, edges with six equivalent Pb(1)Pb12 cuboctahedra, edges with six equivalent Pb(2)Sb3Pb9 cuboctahedra, edges with six equivalent Sb(1)Sb6Pb6 cuboctahedra, faces with six equivalent Pb(1)Pb12 cuboctahedra, faces with six equivalent Sb(1)Sb6Pb6 cuboctahedra, and faces with eight equivalent Pb(2)Sb3Pb9 cuboctahedra. All Pb(2)-Pb(2) bond lengths are 3.46 Å. All Pb(2)-Sb(1) bond lengths are 3.51 Å. Sb(1) is bonded to six equivalent Pb(2) and six equivalent Sb(1) atoms to form distorted SbSb6Pb6 cuboctahedra that share corners with six equivalent Sb(1)Sb6Pb6 cuboctahedra, corners with twelve equivalent Pb(1)Pb12 cuboctahedra, edges with six equivalent Sb(1)Sb6Pb6 cuboctahedra, edges with twelve equivalent Pb(2)Sb3Pb9 cuboctahedra, faces with two equivalent Pb(1)Pb12 cuboctahedra, faces with six equivalent Sb(1)Sb6Pb6 cuboctahedra, and faces with twelve equivalent Pb(2)Sb3Pb9 cuboctahedra. All Sb(1)-Sb(1) bond lengths are 3.46 Å.