Materials Data on Fe2Pd by Materials Project

Abstract

Fe2Pd crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Fe is bonded to nine equivalent Fe and three equivalent Pd atoms to form distorted FeFe9Pd3 cuboctahedra that share corners with three equivalent PdFe6Pd6 cuboctahedra, corners with nine equivalent FeFe9Pd3 cuboctahedra, edges with nine equivalent PdFe6Pd6 cuboctahedra, edges with fifteen equivalent FeFe9Pd3 cuboctahedra, faces with six equivalent PdFe6Pd6 cuboctahedra, and faces with twelve equivalent FeFe9Pd3 cuboctahedra. There are three shorter (2.45 Å) and six longer (2.77 Å) Fe–Fe bond lengths. All Fe–Pd bond lengths are 2.67 Å. Pd is bonded to six equivalent Fe and six equivalent Pd atoms to form distorted PdFe6Pd6 cuboctahedra that share corners with six equivalent FeFe9Pd3 cuboctahedra, corners with six equivalent PdFe6Pd6 cuboctahedra, edges with six equivalent PdFe6Pd6 cuboctahedra, edges with eighteen equivalent FeFe9Pd3 cuboctahedra, faces with six equivalent PdFe6Pd6 cuboctahedra, and faces with twelve equivalent FeFe9Pd3 cuboctahedra. All Pd–Pd bond lengths are 2.77 Å.