Materials Data on Sm2Al2Fe15 by Materials Project

Abstract

Sm2Fe15Al2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to eighteen Fe and one Al atom. There are a spread of Sm–Fe bond distances ranging from 3.03–3.33 Å. The Sm–Al bond length is 3.08 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Sm, eight Fe, and two equivalent Al atoms to form distorted FeSm2Al2Fe8 cuboctahedra that share corners with twenty-two FeSm2Al2Fe8 cuboctahedra, edges with ten FeSm3AlFe8 cuboctahedra, and faces with eighteen FeSm2Al2Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.45 Å. Both Fe–Al bond lengths are 2.58 Å. In the second Fe site, Fe is bonded to two equivalent Sm, eight Fe, and two equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing FeSm2Al2Fe8 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.47–2.67 Å. Both Fe–Al bond lengths are 2.78 Å. In the third Fe site, Fe is bonded to three equivalent Sm, eight Fe, and one Al atom to form a mixture of distorted corner, edge, and face-sharing FeSm3AlFe8 cuboctahedra. Both Fe–Fe bond lengths are 2.46 Å. The Fe–Al bond length is 2.61 Å. Al is bonded in a 6-coordinate geometry to one Sm, twelve Fe, and one Al atom. The Al–Al bond length is 2.56 Å.