Materials Data on Tb2AlFe3 by Materials Project

Abstract

Tb2Fe3Al is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to nine equivalent Fe and three equivalent Al atoms. There are six shorter (3.05 Å) and three longer (3.08 Å) Tb–Fe bond lengths. All Tb–Al bond lengths are 3.07 Å. Fe is bonded to six equivalent Tb, four equivalent Fe, and two equivalent Al atoms to form FeTb6Al2Fe4 cuboctahedra that share corners with four equivalent AlTb6Fe6 cuboctahedra, corners with fourteen equivalent FeTb6Al2Fe4 cuboctahedra, edges with six equivalent FeTb6Al2Fe4 cuboctahedra, faces with six equivalent AlTb6Fe6 cuboctahedra, and faces with twelve equivalent FeTb6Al2Fe4 cuboctahedra. All Fe–Fe bond lengths are 2.62 Å. Both Fe–Al bond lengths are 2.60 Å. Al is bonded to six equivalent Tb and six equivalent Fe atoms to form AlTb6Fe6 cuboctahedra that share corners with six equivalent AlTb6Fe6 cuboctahedra, corners with twelve equivalent FeTb6Al2Fe4 cuboctahedra, edges with six equivalent AlTb6Fe6 cuboctahedra, and faces with eighteen equivalent FeTb6Al2Fe4 cuboctahedra.