Materials Data on Fe2Pt by Materials Project

Abstract

Fe2Pt is beta-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Fe is bonded to nine equivalent Fe and three equivalent Pt atoms to form distorted FeFe9Pt3 cuboctahedra that share corners with three equivalent PtFe6Pt6 cuboctahedra, corners with nine equivalent FeFe9Pt3 cuboctahedra, edges with nine equivalent PtFe6Pt6 cuboctahedra, edges with fifteen equivalent FeFe9Pt3 cuboctahedra, faces with six equivalent PtFe6Pt6 cuboctahedra, and faces with twelve equivalent FeFe9Pt3 cuboctahedra. There are three shorter (2.36 Å) and six longer (2.62 Å) Fe–Fe bond lengths. All Fe–Pt bond lengths are 2.69 Å. Pt is bonded to six equivalent Fe and six equivalent Pt atoms to form PtFe6Pt6 cuboctahedra that share corners with six equivalent FeFe9Pt3 cuboctahedra, corners with six equivalent PtFe6Pt6 cuboctahedra, edges with six equivalent PtFe6Pt6 cuboctahedra, edges with eighteen equivalent FeFe9Pt3 cuboctahedra, faces with six equivalent PtFe6Pt6 cuboctahedra, and faces with twelve equivalent FeFe9Pt3 cuboctahedra. All Pt–Pt bond lengths are 2.62 Å.