Materials Data on Er2AlCo3 by Materials Project

Abstract

Er2Co3Al crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er is bonded in a 9-coordinate geometry to four equivalent Er, nine equivalent Co, and three equivalent Al atoms. There are one shorter (3.00 Å) and three longer (3.17 Å) Er–Er bond lengths. There are three shorter (2.81 Å) and six longer (3.04 Å) Er–Co bond lengths. All Er–Al bond lengths are 3.09 Å. Co is bonded to six equivalent Er, four equivalent Co, and two equivalent Al atoms to form distorted CoEr6Al2Co4 cuboctahedra that share corners with four equivalent AlEr6Co6 cuboctahedra, corners with fourteen equivalent CoEr6Al2Co4 cuboctahedra, edges with six equivalent CoEr6Al2Co4 cuboctahedra, faces with six equivalent AlEr6Co6 cuboctahedra, and faces with twelve equivalent CoEr6Al2Co4 cuboctahedra. All Co–Co bond lengths are 2.65 Å. Both Co–Al bond lengths are 2.46 Å. Al is bonded to six equivalent Er and six equivalent Co atoms to form distorted AlEr6Co6 cuboctahedra that share corners with six equivalent AlEr6Co6 cuboctahedra, corners with twelve equivalent CoEr6Al2Co4 cuboctahedra, edges with six equivalent AlEr6Co6 cuboctahedra, and faces with eighteen equivalent CoEr6Al2Co4 cuboctahedra.