Materials Data on SmFeCo by Materials Project

Abstract

FeCoSm is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to six equivalent Fe and six equivalent Co atoms. There are two shorter (3.00 Å) and four longer (3.13 Å) Sm–Fe bond lengths. There are two shorter (3.02 Å) and four longer (3.05 Å) Sm–Co bond lengths. Fe is bonded to six equivalent Sm, two equivalent Fe, and four equivalent Co atoms to form FeSm6Fe2Co4 cuboctahedra that share corners with eight equivalent CoSm6Fe4Co2 cuboctahedra, corners with ten equivalent FeSm6Fe2Co4 cuboctahedra, edges with six equivalent FeSm6Fe2Co4 cuboctahedra, faces with six equivalent FeSm6Fe2Co4 cuboctahedra, and faces with twelve equivalent CoSm6Fe4Co2 cuboctahedra. Both Fe–Fe bond lengths are 2.58 Å. All Fe–Co bond lengths are 2.60 Å. Co is bonded to six equivalent Sm, four equivalent Fe, and two equivalent Co atoms to form CoSm6Fe4Co2 cuboctahedra that share corners with eight equivalent FeSm6Fe2Co4 cuboctahedra, corners with ten equivalent CoSm6Fe4Co2 cuboctahedra, edges with six equivalent CoSm6Fe4Co2 cuboctahedra, faces with six equivalent CoSm6Fe4Co2 cuboctahedra, and faces with twelve equivalent FeSm6Fe2Co4 cuboctahedra. Both Co–Co bond lengths are 2.70 Å.