Materials Data on Gd2AlFe3 by Materials Project

Abstract

Gd2Fe3Al is Cubic Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to four equivalent Gd, nine equivalent Fe, and three equivalent Al atoms. There are one shorter (3.13 Å) and three longer (3.24 Å) Gd–Gd bond lengths. There are six shorter (3.06 Å) and three longer (3.09 Å) Gd–Fe bond lengths. All Gd–Al bond lengths are 3.09 Å. Fe is bonded to six equivalent Gd, four equivalent Fe, and two equivalent Al atoms to form FeGd6Al2Fe4 cuboctahedra that share corners with four equivalent AlGd6Fe6 cuboctahedra, corners with fourteen equivalent FeGd6Al2Fe4 cuboctahedra, edges with six equivalent FeGd6Al2Fe4 cuboctahedra, faces with six equivalent AlGd6Fe6 cuboctahedra, and faces with twelve equivalent FeGd6Al2Fe4 cuboctahedra. All Fe–Fe bond lengths are 2.63 Å. Both Fe–Al bond lengths are 2.61 Å. Al is bonded to six equivalent Gd and six equivalent Fe atoms to form AlGd6Fe6 cuboctahedra that share corners with six equivalent AlGd6Fe6 cuboctahedra, corners with twelve equivalent FeGd6Al2Fe4 cuboctahedra, edges with six equivalent AlGd6Fe6 cuboctahedra, and faces with eighteen equivalent FeGd6Al2Fe4 cuboctahedra.