Materials Data on U2Al3Fe by Materials Project

Abstract

U2FeAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U is bonded in a 3-coordinate geometry to three equivalent U, three equivalent Fe, and nine equivalent Al atoms. All U–U bond lengths are 3.11 Å. All U–Fe bond lengths are 3.03 Å. There are three shorter (3.06 Å) and six longer (3.18 Å) U–Al bond lengths. Fe is bonded to six equivalent U and six equivalent Al atoms to form FeU6Al6 cuboctahedra that share corners with six equivalent FeU6Al6 cuboctahedra, corners with twelve equivalent AlU6Al4Fe2 cuboctahedra, edges with six equivalent FeU6Al6 cuboctahedra, and faces with eighteen equivalent AlU6Al4Fe2 cuboctahedra. All Fe–Al bond lengths are 2.71 Å. Al is bonded to six equivalent U, two equivalent Fe, and four equivalent Al atoms to form AlU6Al4Fe2 cuboctahedra that share corners with four equivalent FeU6Al6 cuboctahedra, corners with fourteen equivalent AlU6Al4Fe2 cuboctahedra, edges with six equivalent AlU6Al4Fe2 cuboctahedra, faces with six equivalent FeU6Al6 cuboctahedra, and faces with twelve equivalent AlU6Al4Fe2 cuboctahedra. All Al–Al bond lengths are 2.60 Å.