Materials Data on HoFeCo by Materials Project

Abstract

HoFeCo is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to six equivalent Fe and six equivalent Co atoms. There are two shorter (2.95 Å) and four longer (3.04 Å) Ho–Fe bond lengths. All Ho–Co bond lengths are 2.98 Å. Fe is bonded to six equivalent Ho, two equivalent Fe, and four equivalent Co atoms to form FeHo6Fe2Co4 cuboctahedra that share corners with eight equivalent CoHo6Fe4Co2 cuboctahedra, corners with ten equivalent FeHo6Fe2Co4 cuboctahedra, edges with six equivalent FeHo6Fe2Co4 cuboctahedra, faces with six equivalent FeHo6Fe2Co4 cuboctahedra, and faces with twelve equivalent CoHo6Fe4Co2 cuboctahedra. Both Fe–Fe bond lengths are 2.53 Å. All Fe–Co bond lengths are 2.55 Å. Co is bonded to six equivalent Ho, four equivalent Fe, and two equivalent Co atoms to form CoHo6Fe4Co2 cuboctahedra that share corners with eight equivalent FeHo6Fe2Co4 cuboctahedra, corners with ten equivalent CoHo6Fe4Co2 cuboctahedra, edges with six equivalent CoHo6Fe4Co2 cuboctahedra, faces with six equivalent CoHo6Fe4Co2 cuboctahedra, and faces with twelve equivalent FeHo6Fe2Co4 cuboctahedra. Both Co–Co bond lengths are 2.62 Å.