Materials Data on AlSiMo6 by Materials Project

Abstract

Mo6AlSi crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Mo is bonded in a 6-coordinate geometry to two equivalent Mo, two equivalent Al, and two equivalent Si atoms. There are one shorter (2.46 Å) and one longer (2.49 Å) Mo–Mo bond lengths. Both Mo–Al bond lengths are 2.77 Å. Both Mo–Si bond lengths are 2.76 Å. Al is bonded to twelve equivalent Mo atoms to form AlMo12 cuboctahedra that share edges with six equivalent AlMo12 cuboctahedra and faces with eight equivalent SiMo12 cuboctahedra. Si is bonded to twelve equivalent Mo atoms to form SiMo12 cuboctahedra that share edges with six equivalent SiMo12 cuboctahedra and faces with eight equivalent AlMo12 cuboctahedra.