Materials Data on PdPt by Materials Project

Abstract

PtPd 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 Pd2+ atoms to form a mixture of edge, corner, and face-sharing PtPd6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.79 Å. All Pt–Pd bond lengths are 2.80 Å. In the second Pt2- site, Pt2- is bonded to ten equivalent Pt2- and six Pd2+ atoms to form PtPd6Pt10 cuboctahedra that share corners with twelve PtPd6Pt6 cuboctahedra, edges with sixteen PtPd6Pt6 cuboctahedra, and faces with sixteen equivalent PtPd6Pt10 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.79–5.58 Å. All Pt–Pd bond lengths are 2.80 Å. There are three inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a distorted hexagonal planar geometry to six equivalent Pt2- atoms. In the second Pd2+ site, Pd2+ is bonded in a distorted hexagonal planar geometry to six Pt2- atoms. In the third Pd2+ site, Pd2+ is bonded in a distorted hexagonal planar geometry to six Pt2- atoms. All Pd–Pt bond lengths are 2.80 Å.