Materials Data on Ce8GaPd24 by Materials Project

Abstract

Ce8Pd24Ga 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 GaPd6 octahedra. There are a spread of Ce–Pd bond distances ranging from 2.98–3.02 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 5-coordinate geometry to four equivalent Ce and one Ga atom. The Pd–Ga bond length is 2.47 Å. In the third Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Ce atoms. Ga is bonded to six equivalent Pd atoms to form GaPd6 octahedra that share faces with eight equivalent CePd12 cuboctahedra.