Materials Data on Pt3Rh by Materials Project

Abstract

Pt3Rh is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rh is bonded to twelve Pt atoms to form RhPt12 cuboctahedra that share corners with four equivalent RhPt12 cuboctahedra, corners with eight equivalent PtPt8Rh4 cuboctahedra, edges with eight equivalent RhPt12 cuboctahedra, edges with sixteen equivalent PtPt8Rh4 cuboctahedra, faces with four equivalent RhPt12 cuboctahedra, and faces with fourteen PtPt8Rh4 cuboctahedra. All Rh–Pt bond lengths are 2.79 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded to four equivalent Rh and eight Pt atoms to form PtPt8Rh4 cuboctahedra that share corners with twelve equivalent PtPt8Rh4 cuboctahedra, edges with eight equivalent RhPt12 cuboctahedra, edges with sixteen PtPt8Rh4 cuboctahedra, faces with four equivalent RhPt12 cuboctahedra, and faces with fourteen PtPt8Rh4 cuboctahedra. All Pt–Pt bond lengths are 2.79 Å. In the second Pt site, Pt is bonded to four equivalent Rh and eight equivalent Pt atoms to form PtPt8Rh4 cuboctahedra that share corners with four equivalent PtPt8Rh4 cuboctahedra, corners with eight equivalent RhPt12 cuboctahedra, edges with twenty-four PtPt8Rh4 cuboctahedra, faces with six equivalent RhPt12 cuboctahedra, and faces with twelve PtPt8Rh4 cuboctahedra.