Materials Data on SmPdPb by Materials Project

Abstract

SmPdPb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm is bonded to six Pd and six equivalent Pb atoms to form a mixture of edge and face-sharing SmPd6Pb6 cuboctahedra. There are two shorter (3.34 Å) and four longer (3.35 Å) Sm–Pd bond lengths. There are four shorter (3.34 Å) and two longer (3.35 Å) Sm–Pb bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Pb atoms. All Pd–Pb bond lengths are 2.74 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Pb atoms. All Pd–Pb bond lengths are 2.75 Å. Pb is bonded in a 9-coordinate geometry to six equivalent Sm and three Pd atoms.