Materials Data on Ce(Cd10Pd)2 by Materials Project

Abstract

Ce(PdCd10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to sixteen Cd atoms. There are four shorter (3.47 Å) and twelve longer (3.49 Å) Ce–Cd bond lengths. Pd is bonded to twelve Cd atoms to form PdCd12 cuboctahedra that share corners with six equivalent PdCd12 cuboctahedra, edges with eighteen equivalent CdCeCd10Pd cuboctahedra, and faces with six equivalent CdCeCd10Pd cuboctahedra. There are six shorter (2.84 Å) and six longer (3.15 Å) Pd–Cd bond lengths. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a distorted linear geometry to two equivalent Pd and six equivalent Cd atoms. There are two shorter (3.01 Å) and four longer (3.18 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded to one Ce, one Pd, and ten Cd atoms to form distorted CdCeCd10Pd cuboctahedra that share corners with fifteen equivalent CdCeCd10Pd cuboctahedra, edges with two equivalent CdCeCd10Pd cuboctahedra, edges with three equivalent PdCd12 cuboctahedra, a faceface with one PdCd12 cuboctahedra, and faces with fifteen equivalent CdCeCd10Pd cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.93–3.39 Å. In the third Cd site, Cd is bonded in a distorted linear geometry to two equivalent Ce and twelve equivalent Cd atoms.