Materials Data on Re3Mo by Materials Project

Abstract

MoRe3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo is bonded to twelve equivalent Re atoms to form MoRe12 cuboctahedra that share corners with six equivalent MoRe12 cuboctahedra, corners with twelve equivalent ReRe8Mo4 cuboctahedra, edges with eighteen equivalent ReRe8Mo4 cuboctahedra, faces with eight equivalent MoRe12 cuboctahedra, and faces with twelve equivalent ReRe8Mo4 cuboctahedra. All Mo–Re bond lengths are 2.79 Å. Re is bonded to four equivalent Mo and eight equivalent Re atoms to form ReRe8Mo4 cuboctahedra that share corners with four equivalent MoRe12 cuboctahedra, corners with fourteen equivalent ReRe8Mo4 cuboctahedra, edges with six equivalent MoRe12 cuboctahedra, edges with twelve equivalent ReRe8Mo4 cuboctahedra, faces with four equivalent MoRe12 cuboctahedra, and faces with sixteen equivalent ReRe8Mo4 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.78–2.81 Å.