Materials Data on Ce8AlPd24 by Materials Project

Abstract

Ce8Pd24Al crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve Pd atoms to form CePd12 cuboctahedra that share corners with twelve equivalent CePd12 cuboctahedra, faces with six equivalent CePd12 cuboctahedra, and a faceface with one AlPd6 octahedra. There are a spread of Ce–Pd bond distances ranging from 2.98–3.01 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted rectangular see-saw-like geometry to four equivalent Ce atoms. In the second Pd site, Pd is bonded in a distorted rectangular see-saw-like geometry to four equivalent Ce atoms. In the third Pd site, Pd is bonded in a 1-coordinate geometry to four equivalent Ce and one Al atom. The Pd–Al bond length is 2.46 Å. Al is bonded to six equivalent Pd atoms to form AlPd6 octahedra that share faces with eight equivalent CePd12 cuboctahedra.