Materials Data on Ho2Al3Fe by Materials Project

Abstract

Ho2FeAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to four equivalent Ho, three equivalent Fe, and nine equivalent Al atoms. There are one shorter (3.29 Å) and three longer (3.35 Å) Ho–Ho bond lengths. All Ho–Fe bond lengths are 3.22 Å. There are three shorter (3.13 Å) and six longer (3.21 Å) Ho–Al bond lengths. Fe is bonded to six equivalent Ho and six equivalent Al atoms to form FeHo6Al6 cuboctahedra that share corners with six equivalent FeHo6Al6 cuboctahedra, corners with twelve equivalent AlHo6Al4Fe2 cuboctahedra, edges with six equivalent FeHo6Al6 cuboctahedra, and faces with eighteen equivalent AlHo6Al4Fe2 cuboctahedra. All Fe–Al bond lengths are 2.69 Å. Al is bonded to six equivalent Ho, two equivalent Fe, and four equivalent Al atoms to form AlHo6Al4Fe2 cuboctahedra that share corners with four equivalent FeHo6Al6 cuboctahedra, corners with fourteen equivalent AlHo6Al4Fe2 cuboctahedra, edges with six equivalent AlHo6Al4Fe2 cuboctahedra, faces with six equivalent FeHo6Al6 cuboctahedra, and faces with twelve equivalent AlHo6Al4Fe2 cuboctahedra. All Al–Al bond lengths are 2.75 Å.