Materials Data on BiPb4 by Materials Project
Pb4Bi crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Pb sites. In the first Pb site, Pb is bonded to three equivalent Pb and three equivalent Bi atoms to form distorted PbBi3Pb3 cuboctahedra that share corners with six equivalent BiBi6Pb6 cuboctahedra, corners with twelve PbBi3Pb3 cuboctahedra, edges with six equivalent BiBi6Pb6 cuboctahedra, and edges with eighteen PbBi3Pb3 cuboctahedra. All Pb–Pb bond lengths are 3.55 Å. All Pb–Bi bond lengths are 3.52 Å. In the second Pb site, Pb is bonded to twelve Pb atoms to form PbPb12 cuboctahedra that share corners with three equivalent BiBi6Pb6 cuboctahedra, corners with fifteen PbBi3Pb3 cuboctahedra, edges with three equivalent BiBi6Pb6 cuboctahedra, edges with twenty-one PbBi3Pb3 cuboctahedra, and faces with twelve equivalent PbPb12 cuboctahedra. There are three shorter (3.53 Å) and six longer (3.59 Å) Pb–Pb bond lengths. Bi is bonded to six equivalent Pb and six equivalent Bi atoms to form distorted BiBi6Pb6 cuboctahedra that share corners with six equivalent BiBi6Pb6 cuboctahedra, corners with eighteen PbBi3Pb3 cuboctahedra, edges with six equivalent BiBi6Pb6 cuboctahedra, edges with eighteen PbBi3Pb3 cuboctahedra, and faces with six equivalent BiBi6Pb6 cuboctahedra. All Bi–Bi bond lengths are 3.59 Å.