Materials Data on Re3Pt by Materials Project

Abstract

Re3Pt is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to eight equivalent Re and four equivalent Pt atoms to form distorted ReRe8Pt4 cuboctahedra that share corners with four equivalent PtRe12 cuboctahedra, corners with fourteen equivalent ReRe8Pt4 cuboctahedra, edges with six equivalent PtRe12 cuboctahedra, edges with twelve equivalent ReRe8Pt4 cuboctahedra, faces with four equivalent PtRe12 cuboctahedra, and faces with sixteen ReRe8Pt4 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.67–2.92 Å. There are two shorter (2.79 Å) and two longer (2.80 Å) Re–Pt bond lengths. In the second Re site, Re is bonded to eight equivalent Re and four equivalent Pt atoms to form distorted ReRe8Pt4 cuboctahedra that share corners with four equivalent PtRe12 cuboctahedra, corners with fourteen ReRe8Pt4 cuboctahedra, edges with six equivalent PtRe12 cuboctahedra, edges with twelve equivalent ReRe8Pt4 cuboctahedra, faces with four equivalent PtRe12 cuboctahedra, and faces with sixteen ReRe8Pt4 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.67–2.92 Å. There are two shorter (2.79 Å) and two longer (2.80 Å) Re–Pt bond lengths. Pt is bonded to twelve Re atoms to form PtRe12 cuboctahedra that share corners with six equivalent PtRe12 cuboctahedra, corners with twelve ReRe8Pt4 cuboctahedra, edges with eighteen ReRe8Pt4 cuboctahedra, faces with eight equivalent PtRe12 cuboctahedra, and faces with twelve ReRe8Pt4 cuboctahedra.