Materials Data on Ce8InPd24 by Materials Project

Abstract

Ce8Pd24In 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 InPd6 octahedra. There are a spread of Ce–Pd bond distances ranging from 3.01–3.05 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 in a distorted rectangular see-saw-like geometry to four equivalent Ce and eight Pd atoms. All Pd–Pd bond lengths are 2.94 Å. In the third Pd site, Pd is bonded in a 5-coordinate geometry to four equivalent Ce and one In atom. The Pd–In bond length is 2.67 Å. In is bonded to six equivalent Pd atoms to form InPd6 octahedra that share faces with eight equivalent CePd12 cuboctahedra.