Materials Data on MoPt3 by Materials Project

Abstract

Pt3Mo1 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mo6+ is bonded in a hexagonal planar geometry to six equivalent Pt2- atoms. All Mo–Pt bond lengths are 2.74 Å. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to three equivalent Mo6+ and nine Pt2- atoms to form a mixture of face, edge, and corner-sharing PtMo3Pt9 cuboctahedra. There are six shorter (2.80 Å) and three longer (2.89 Å) Pt–Pt bond lengths. In the second Pt2- site, Pt2- is bonded to twelve Pt2- atoms to form PtPt12 cuboctahedra that share corners with six equivalent PtPt12 cuboctahedra, edges with eighteen PtMo3Pt9 cuboctahedra, and faces with eighteen PtMo3Pt9 cuboctahedra. All Pt–Pt bond lengths are 2.80 Å. In the third Pt2- site, Pt2- is bonded to three equivalent Mo6+ and nine Pt2- atoms to form a mixture of face, edge, and corner-sharing PtMo3Pt9 cuboctahedra. All Pt–Mo bond lengths are 2.74 Å. There are six shorter (2.80 Å) and three longer (2.89 Å) Pt–Pt bond lengths. In the fourth Pt2- site, Pt2- is bonded to sixteen Pt2- atoms to form a mixture of face, edge, and corner-sharing PtPt16 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.80–5.60 Å.