Materials Data on Sm2(Al3Ir)3 by Materials Project

Abstract

Sm2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to six Ir and eleven Al atoms. There are a spread of Sm–Ir bond distances ranging from 3.45–3.49 Å. There are a spread of Sm–Al bond distances ranging from 3.08–3.18 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Sm and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.58–2.63 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Sm and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.58–2.62 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Sm and two equivalent Ir atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Sm and three Ir atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Sm and three Ir atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Sm and two equivalent Ir atoms.