Materials Data on CoRe3 by Materials Project

Abstract

Re3Co is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re is bonded to eight equivalent Re and four equivalent Co atoms to form ReCo4Re8 cuboctahedra that share corners with four equivalent CoRe12 cuboctahedra, corners with fourteen equivalent ReCo4Re8 cuboctahedra, edges with six equivalent CoRe12 cuboctahedra, edges with twelve equivalent ReCo4Re8 cuboctahedra, faces with four equivalent CoRe12 cuboctahedra, and faces with sixteen equivalent ReCo4Re8 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.68–2.72 Å. There are two shorter (2.69 Å) and two longer (2.71 Å) Re–Co bond lengths. Co is bonded to twelve equivalent Re atoms to form CoRe12 cuboctahedra that share corners with six equivalent CoRe12 cuboctahedra, corners with twelve equivalent ReCo4Re8 cuboctahedra, edges with eighteen equivalent ReCo4Re8 cuboctahedra, faces with eight equivalent CoRe12 cuboctahedra, and faces with twelve equivalent ReCo4Re8 cuboctahedra.