Materials Data on Ce8Pd24Pb by Materials Project

Abstract

Ce8Pd24Pb crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve Pd atoms to form distorted CePd12 cuboctahedra that share corners with twelve equivalent CePd12 cuboctahedra, edges with six equivalent PdCe4Pd8 cuboctahedra, faces with three equivalent PdCe4Pd8 cuboctahedra, faces with six equivalent CePd12 cuboctahedra, and a faceface with one PbPd6 octahedra. There are a spread of Ce–Pd bond distances ranging from 3.02–3.05 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to four equivalent Ce and two equivalent Pd atoms. Both Pd–Pd bond lengths are 2.94 Å. In the second Pd site, Pd is bonded to four equivalent Ce and eight Pd atoms to form distorted PdCe4Pd8 cuboctahedra that share edges with eight equivalent CePd12 cuboctahedra, faces with four equivalent CePd12 cuboctahedra, and faces with six equivalent PdCe4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.95 Å. In the third Pd site, Pd is bonded in a 5-coordinate geometry to four equivalent Ce and one Pb atom. The Pd–Pb bond length is 2.74 Å. Pb is bonded to six equivalent Pd atoms to form PbPd6 octahedra that share faces with eight equivalent CePd12 cuboctahedra.