Materials Data on Cr3SiNi2 by Materials Project

Abstract

Cr3Ni2Si crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr is bonded in a distorted linear geometry to four equivalent Ni and two equivalent Si atoms. There are two shorter (2.43 Å) and two longer (2.82 Å) Cr–Ni bond lengths. Both Cr–Si bond lengths are 2.80 Å. Ni is bonded to six equivalent Cr, three equivalent Ni, and three equivalent Si atoms to form distorted NiCr6Si3Ni3 cuboctahedra that share corners with three equivalent SiCr6Ni6 cuboctahedra, corners with six equivalent NiCr6Si3Ni3 cuboctahedra, faces with four equivalent SiCr6Ni6 cuboctahedra, and faces with nine equivalent NiCr6Si3Ni3 cuboctahedra. All Ni–Ni bond lengths are 2.48 Å. All Ni–Si bond lengths are 2.25 Å. Si is bonded to six equivalent Cr and six equivalent Ni atoms to form SiCr6Ni6 cuboctahedra that share corners with six equivalent NiCr6Si3Ni3 cuboctahedra, faces with six equivalent SiCr6Ni6 cuboctahedra, and faces with eight equivalent NiCr6Si3Ni3 cuboctahedra.