Materials Data on Sm2Mn2Al2Fe13 by Materials Project

Abstract

Sm2Mn2Fe13Al2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to two equivalent Mn, sixteen Fe, and one Al atom. Both Sm–Mn bond lengths are 3.36 Å. There are a spread of Sm–Fe bond distances ranging from 3.02–3.35 Å. The Sm–Al bond length is 3.12 Å. Mn is bonded in a 10-coordinate geometry to two equivalent Sm, eight Fe, and two equivalent Al atoms. There are a spread of Mn–Fe bond distances ranging from 2.43–2.45 Å. Both Mn–Al bond lengths are 2.59 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded to three equivalent Sm, two equivalent Mn, six Fe, and one Al atom to form a mixture of distorted corner, edge, and face-sharing FeSm3Mn2AlFe6 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.48–2.65 Å. The Fe–Al bond length is 2.60 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Sm, one Mn, seven Fe, and one Al atom. There are a spread of Fe–Fe bond distances ranging from 2.43–2.67 Å. The Fe–Al bond length is 2.58 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Sm, two equivalent Mn, six Fe, and two equivalent Al atoms. Both Fe–Fe bond lengths are 2.45 Å. Both Fe–Al bond lengths are 2.79 Å. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Sm, one Mn, seven Fe, and two equivalent Al atoms. There are one shorter (2.46 Å) and one longer (2.47 Å) Fe–Fe bond lengths. There are one shorter (2.74 Å) and one longer (2.77 Å) Fe–Al bond lengths. In the fifth Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Sm, eight Fe, and two equivalent Al atoms. Both Fe–Al bond lengths are 2.55 Å. Al is bonded in a 4-coordinate geometry to one Sm, two equivalent Mn, ten Fe, and one Al atom. The Al–Al bond length is 2.56 Å.