Materials Data on Dy2Fe3Ni by Materials Project

Abstract

Dy2Fe3Ni is Cubic 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 nine equivalent Fe and three equivalent Ni atoms. There are six shorter (3.00 Å) and three longer (3.07 Å) Dy–Fe bond lengths. All Dy–Ni bond lengths are 2.98 Å. Fe is bonded to six equivalent Dy, four equivalent Fe, and two equivalent Ni atoms to form FeDy6Fe4Ni2 cuboctahedra that share corners with four equivalent NiDy6Fe6 cuboctahedra, corners with fourteen equivalent FeDy6Fe4Ni2 cuboctahedra, edges with six equivalent FeDy6Fe4Ni2 cuboctahedra, faces with six equivalent NiDy6Fe6 cuboctahedra, and faces with twelve equivalent FeDy6Fe4Ni2 cuboctahedra. All Fe–Fe bond lengths are 2.54 Å. Both Fe–Ni bond lengths are 2.60 Å. Ni is bonded to six equivalent Dy and six equivalent Fe atoms to form NiDy6Fe6 cuboctahedra that share corners with six equivalent NiDy6Fe6 cuboctahedra, corners with twelve equivalent FeDy6Fe4Ni2 cuboctahedra, edges with six equivalent NiDy6Fe6 cuboctahedra, and faces with eighteen equivalent FeDy6Fe4Ni2 cuboctahedra.