Materials Data on Tb2Al3Fe by Materials Project

Abstract

Tb2FeAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to three equivalent Fe and nine equivalent Al atoms. All Tb–Fe bond lengths are 3.24 Å. There are three shorter (3.15 Å) and six longer (3.21 Å) Tb–Al bond lengths. Fe is bonded to six equivalent Tb and six equivalent Al atoms to form FeTb6Al6 cuboctahedra that share corners with six equivalent FeTb6Al6 cuboctahedra, corners with twelve equivalent AlTb6Al4Fe2 cuboctahedra, edges with six equivalent FeTb6Al6 cuboctahedra, and faces with eighteen equivalent AlTb6Al4Fe2 cuboctahedra. All Fe–Al bond lengths are 2.70 Å. Al is bonded to six equivalent Tb, two equivalent Fe, and four equivalent Al atoms to form AlTb6Al4Fe2 cuboctahedra that share corners with four equivalent FeTb6Al6 cuboctahedra, corners with fourteen equivalent AlTb6Al4Fe2 cuboctahedra, edges with six equivalent AlTb6Al4Fe2 cuboctahedra, faces with six equivalent FeTb6Al6 cuboctahedra, and faces with twelve equivalent AlTb6Al4Fe2 cuboctahedra. All Al–Al bond lengths are 2.76 Å.