Materials Data on PtAu by Materials Project

PtAu crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to six equivalent Pt2- and six Au2+ atoms to form a mixture of face, edge, and corner-sharing PtPt6Au6 cuboctahedra. All Pt–Pt bond lengths are 2.87 Å. All Pt–Au bond lengths are 2.88 Å. In the second Pt2- site, Pt2- is bonded to ten equivalent Pt2- and six Au2+ atoms to form PtPt10Au6 cuboctahedra that share corners with twelve PtPt6Au6 cuboctahedra, edges with sixteen PtPt6Au6 cuboctahedra, and faces with sixteen equivalent PtPt10Au6 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.87–5.74 Å. All Pt–Au bond lengths are 2.88 Å. There are three inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a 6-coordinate geometry to six equivalent Pt2- atoms. In the second Au2+ site, Au2+ is bonded in a 6-coordinate geometry to six Pt2- atoms. All Au–Pt bond lengths are 2.88 Å. In the third Au2+ site, Au2+ is bonded in a 6-coordinate geometry to six Pt2- atoms.