Materials Data on SmAl3Ni by Materials Project

Abstract

SmNiAl3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to two equivalent Sm, two equivalent Ni, and eleven Al atoms. Both Sm–Sm bond lengths are 3.66 Å. Both Sm–Ni bond lengths are 3.13 Å. There are a spread of Sm–Al bond distances ranging from 3.06–3.66 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Sm and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.35–2.52 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to four equivalent Sm, two equivalent Ni, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.63–2.94 Å. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Sm, three equivalent Ni, and two equivalent Al atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to four equivalent Sm, two equivalent Ni, and four equivalent Al atoms.