Materials Data on Dy2FeCo3 by Materials Project

Abstract

Dy2FeCo3 is Hexagonal Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to four equivalent Dy, three equivalent Fe, and nine equivalent Co atoms. There are one shorter (3.05 Å) and three longer (3.16 Å) Dy–Dy bond lengths. All Dy–Fe bond lengths are 3.05 Å. There are three shorter (2.90 Å) and six longer (3.02 Å) Dy–Co bond lengths. Fe is bonded to six equivalent Dy and six equivalent Co atoms to form FeDy6Co6 cuboctahedra that share corners with six equivalent FeDy6Co6 cuboctahedra, corners with twelve equivalent CoDy6Fe2Co4 cuboctahedra, edges with six equivalent FeDy6Co6 cuboctahedra, and faces with eighteen equivalent CoDy6Fe2Co4 cuboctahedra. All Fe–Co bond lengths are 2.50 Å. Co is bonded to six equivalent Dy, two equivalent Fe, and four equivalent Co atoms to form CoDy6Fe2Co4 cuboctahedra that share corners with four equivalent FeDy6Co6 cuboctahedra, corners with fourteen equivalent CoDy6Fe2Co4 cuboctahedra, edges with six equivalent CoDy6Fe2Co4 cuboctahedra, faces with six equivalent FeDy6Co6 cuboctahedra, and faces with twelve equivalent CoDy6Fe2Co4 cuboctahedra. All Co–Co bond lengths are 2.60 Å.