Materials Data on PtRh by Materials Project
PtRh is Copper-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to six equivalent Rh and six Pt atoms to form RhPt6Rh6 cuboctahedra that share corners with twelve RhPt6Rh6 cuboctahedra, edges with twelve RhPt6Rh6 cuboctahedra, edges with twelve PtPt6Rh6 cuboctahedra, faces with six equivalent RhPt6Rh6 cuboctahedra, and faces with twelve PtPt6Rh6 cuboctahedra. All Rh–Rh bond lengths are 2.77 Å. All Rh–Pt bond lengths are 2.76 Å. In the second Rh site, Rh is bonded to ten equivalent Rh and six Pt atoms to form RhPt6Rh10 cuboctahedra that share corners with ten PtPt6Rh6 cuboctahedra, corners with twelve RhPt6Rh6 cuboctahedra, edges with eight PtPt6Rh6 cuboctahedra, edges with sixteen RhPt6Rh6 cuboctahedra, faces with sixteen equivalent RhPt6Rh10 cuboctahedra, and faces with eighteen PtPt6Rh6 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.77–5.54 Å. All Rh–Pt bond lengths are 2.76 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded to six equivalent Rh and six equivalent Pt atoms to form PtPt6Rh6 cuboctahedra that share corners with twelve PtPt6Rh6 cuboctahedra, edges with twelve equivalent RhPt6Rh6 cuboctahedra, edges with twelve PtPt6Rh6 cuboctahedra, faces with six equivalent PtPt6Rh6 cuboctahedra, and faces with twelve equivalent RhPt6Rh6 cuboctahedra. All Pt–Pt bond lengths are 2.77 Å. In the second Pt site, Pt is bonded to six Rh and six equivalent Pt atoms to form PtPt6Rh6 cuboctahedra that share corners with five equivalent RhPt6Rh10 cuboctahedra, corners with twelve PtPt6Rh6 cuboctahedra, edges with ten RhPt6Rh6 cuboctahedra, edges with twelve PtPt6Rh6 cuboctahedra, faces with six equivalent PtPt6Rh6 cuboctahedra, and faces with fifteen RhPt6Rh6 cuboctahedra. All Pt–Rh bond lengths are 2.76 Å. All Pt–Pt bond lengths are 2.77 Å. In the third Pt site, Pt is bonded to six Rh and six equivalent Pt atoms to form PtPt6Rh6 cuboctahedra that share corners with five equivalent RhPt6Rh10 cuboctahedra, corners with twelve PtPt6Rh6 cuboctahedra, edges with ten RhPt6Rh6 cuboctahedra, edges with twelve PtPt6Rh6 cuboctahedra, faces with six equivalent PtPt6Rh6 cuboctahedra, and faces with fifteen RhPt6Rh6 cuboctahedra. All Pt–Pt bond lengths are 2.77 Å.