Materials Data on Pd3Rh by Materials Project

Abstract

Pd3Rh is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rh is bonded to twelve Pd atoms to form RhPd12 cuboctahedra that share corners with four equivalent RhPd12 cuboctahedra, corners with eight equivalent PdPd8Rh4 cuboctahedra, edges with eight equivalent RhPd12 cuboctahedra, edges with sixteen equivalent PdPd8Rh4 cuboctahedra, faces with four equivalent RhPd12 cuboctahedra, and faces with fourteen PdPd8Rh4 cuboctahedra. There are eight shorter (2.77 Å) and four longer (2.79 Å) Rh–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Rh and eight Pd atoms to form PdPd8Rh4 cuboctahedra that share corners with twelve equivalent PdPd8Rh4 cuboctahedra, edges with eight equivalent RhPd12 cuboctahedra, edges with sixteen PdPd8Rh4 cuboctahedra, faces with four equivalent RhPd12 cuboctahedra, and faces with fourteen PdPd8Rh4 cuboctahedra. There are four shorter (2.77 Å) and four longer (2.79 Å) Pd–Pd bond lengths. In the second Pd site, Pd is bonded to four equivalent Rh and eight equivalent Pd atoms to form PdPd8Rh4 cuboctahedra that share corners with four equivalent PdPd8Rh4 cuboctahedra, corners with eight equivalent RhPd12 cuboctahedra, edges with twenty-four PdPd8Rh4 cuboctahedra, faces with six equivalent RhPd12 cuboctahedra, and faces with twelve PdPd8Rh4 cuboctahedra.