Materials Data on Re3Pt by Materials Project

Abstract

Re3Pt crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to twelve Re atoms to form ReRe12 cuboctahedra that share corners with six equivalent ReRe12 cuboctahedra, corners with twelve equivalent PtRe6Pt6 cuboctahedra, edges with eighteen ReRe12 cuboctahedra, faces with two equivalent PtRe6Pt6 cuboctahedra, and faces with eighteen ReRe12 cuboctahedra. There are six shorter (2.74 Å) and six longer (2.79 Å) Re–Re bond lengths. In the second Re site, Re is bonded to nine Re and three equivalent Pt atoms to form ReRe9Pt3 cuboctahedra that share corners with eighteen equivalent ReRe9Pt3 cuboctahedra, edges with six equivalent PtRe6Pt6 cuboctahedra, edges with twelve ReRe12 cuboctahedra, faces with six equivalent PtRe6Pt6 cuboctahedra, and faces with fourteen ReRe12 cuboctahedra. All Re–Re bond lengths are 2.79 Å. All Re–Pt bond lengths are 2.80 Å. Pt is bonded to six equivalent Re and six equivalent Pt atoms to form PtRe6Pt6 cuboctahedra that share corners with six equivalent PtRe6Pt6 cuboctahedra, corners with twelve equivalent ReRe12 cuboctahedra, edges with six equivalent PtRe6Pt6 cuboctahedra, edges with twelve equivalent ReRe9Pt3 cuboctahedra, faces with six equivalent PtRe6Pt6 cuboctahedra, and faces with fourteen ReRe12 cuboctahedra. All Pt–Pt bond lengths are 2.79 Å.