Materials Data on Fe3Pt by Materials Project

Abstract

Fe3Pt is Uranium Silicide structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to eight Fe and four equivalent Pt atoms to form distorted FeFe8Pt4 cuboctahedra that share corners with twelve equivalent FeFe8Pt4 cuboctahedra, edges with eight equivalent PtFe12 cuboctahedra, edges with sixteen FeFe8Pt4 cuboctahedra, faces with four equivalent PtFe12 cuboctahedra, and faces with fourteen FeFe8Pt4 cuboctahedra. There are four shorter (2.62 Å) and four longer (2.71 Å) Fe–Fe bond lengths. All Fe–Pt bond lengths are 2.62 Å. In the second Fe site, Fe is bonded to eight equivalent Fe and four equivalent Pt atoms to form FeFe8Pt4 cuboctahedra that share corners with twelve equivalent FeFe8Pt4 cuboctahedra, edges with eight equivalent PtFe12 cuboctahedra, edges with sixteen equivalent FeFe8Pt4 cuboctahedra, faces with four equivalent PtFe12 cuboctahedra, and faces with fourteen FeFe8Pt4 cuboctahedra. All Fe–Pt bond lengths are 2.71 Å. Pt is bonded to twelve Fe atoms to form PtFe12 cuboctahedra that share corners with twelve equivalent PtFe12 cuboctahedra, edges with twenty-four FeFe8Pt4 cuboctahedra, faces with six equivalent PtFe12 cuboctahedra, and faces with twelve FeFe8Pt4 cuboctahedra.