Materials Data on CoPt by Materials Project

Abstract

CoPt crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a hexagonal planar geometry to six equivalent Pt2- atoms. All Co–Pt bond lengths are 2.66 Å. In the second Co2+ site, Co2+ is bonded in a hexagonal planar geometry to six Pt2- atoms. All Co–Pt bond lengths are 2.66 Å. In the third Co2+ site, Co2+ is bonded in a hexagonal planar geometry to six Pt2- atoms. All Co–Pt bond lengths are 2.66 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to six Co2+ and six equivalent Pt2- atoms to form a mixture of distorted face, edge, and corner-sharing PtCo6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.71 Å. In the second Pt2- site, Pt2- is bonded to six Co2+ and ten equivalent Pt2- atoms to form distorted PtCo6Pt10 cuboctahedra that share corners with twelve PtCo6Pt6 cuboctahedra, edges with sixteen PtCo6Pt6 cuboctahedra, and faces with sixteen equivalent PtCo6Pt10 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.71–5.42 Å.