Materials Data on Lu2(Al3Ir)3 by Materials Project

Abstract

Lu2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to six Ir and eleven Al atoms. There are a spread of Lu–Ir bond distances ranging from 3.41–3.45 Å. There are a spread of Lu–Al bond distances ranging from 3.03–3.13 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Lu and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.55–2.62 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Lu and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.54–2.61 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Lu and two equivalent Ir atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Lu and three Ir atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Lu and three Ir atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Lu and two equivalent Ir atoms.