Materials Data on Y2Co3Si by Materials Project

Abstract

Y2Co3Si crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four equivalent Y, nine equivalent Co, and three equivalent Si atoms. There are one shorter (2.93 Å) and three longer (3.17 Å) Y–Y bond lengths. There are three shorter (2.83 Å) and six longer (3.01 Å) Y–Co bond lengths. All Y–Si bond lengths are 3.07 Å. Co is bonded to six equivalent Y, four equivalent Co, and two equivalent Si atoms to form CoY6Co4Si2 cuboctahedra that share corners with four equivalent SiY6Co6 cuboctahedra, corners with fourteen equivalent CoY6Co4Si2 cuboctahedra, edges with six equivalent CoY6Co4Si2 cuboctahedra, faces with six equivalent SiY6Co6 cuboctahedra, and faces with twelve equivalent CoY6Co4Si2 cuboctahedra. All Co–Co bond lengths are 2.63 Å. Both Co–Si bond lengths are 2.45 Å. Si is bonded to six equivalent Y and six equivalent Co atoms to form SiY6Co6 cuboctahedra that share corners with six equivalent SiY6Co6 cuboctahedra, corners with twelve equivalent CoY6Co4Si2 cuboctahedra, edges with six equivalent SiY6Co6 cuboctahedra, and faces with eighteen equivalent CoY6Co4Si2 cuboctahedra.