Materials Data on Al2Re3B by Materials Project

Abstract

Re3Al2B crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Re is bonded in a 2-coordinate geometry to eight equivalent Re, four equivalent Al, and two equivalent B atoms. There are four shorter (2.83 Å) and four longer (2.92 Å) Re–Re bond lengths. There are two shorter (2.51 Å) and two longer (2.73 Å) Re–Al bond lengths. Both Re–B bond lengths are 2.74 Å. Al is bonded in a 12-coordinate geometry to six equivalent Re, three equivalent Al, and three equivalent B atoms. All Al–Al bond lengths are 2.61 Å. All Al–B bond lengths are 2.35 Å. B is bonded to six equivalent Re and six equivalent Al atoms to form distorted face-sharing BAl6Re6 cuboctahedra.