Materials Data on AlCr6Si by Materials Project

Abstract

Cr6AlSi crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Cr is bonded in a 6-coordinate geometry to two equivalent Cr, two equivalent Al, and two equivalent Si atoms. There are one shorter (2.24 Å) and one longer (2.32 Å) Cr–Cr bond lengths. Both Cr–Al bond lengths are 2.56 Å. Both Cr–Si bond lengths are 2.54 Å. Al is bonded to twelve equivalent Cr atoms to form AlCr12 cuboctahedra that share edges with six equivalent AlCr12 cuboctahedra and faces with eight equivalent SiCr12 cuboctahedra. Si is bonded to twelve equivalent Cr atoms to form SiCr12 cuboctahedra that share edges with six equivalent SiCr12 cuboctahedra and faces with eight equivalent AlCr12 cuboctahedra.