Materials Data on Er2AlFe3 by Materials Project

Abstract

Er2Fe3Al is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Er, nine equivalent Fe, and three equivalent Al atoms. There are one shorter (3.08 Å) and three longer (3.19 Å) Er–Er bond lengths. There are six shorter (3.01 Å) and three longer (3.05 Å) Er–Fe bond lengths. All Er–Al bond lengths are 3.04 Å. Fe is bonded to six equivalent Er, four equivalent Fe, and two equivalent Al atoms to form FeEr6Al2Fe4 cuboctahedra that share corners with four equivalent AlEr6Fe6 cuboctahedra, corners with fourteen equivalent FeEr6Al2Fe4 cuboctahedra, edges with six equivalent FeEr6Al2Fe4 cuboctahedra, faces with six equivalent AlEr6Fe6 cuboctahedra, and faces with twelve equivalent FeEr6Al2Fe4 cuboctahedra. All Fe–Fe bond lengths are 2.59 Å. Both Fe–Al bond lengths are 2.58 Å. Al is bonded to six equivalent Er and six equivalent Fe atoms to form AlEr6Fe6 cuboctahedra that share corners with six equivalent AlEr6Fe6 cuboctahedra, corners with twelve equivalent FeEr6Al2Fe4 cuboctahedra, edges with six equivalent AlEr6Fe6 cuboctahedra, and faces with eighteen equivalent FeEr6Al2Fe4 cuboctahedra.