Materials Data on La2(Al3Ir)3 by Materials Project

Abstract

La2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of La–Al bond distances ranging from 3.11–3.20 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.62–2.65 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.62–2.64 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent La, two equivalent Ir, and six Al atoms. There are two shorter (2.75 Å) and four longer (2.80 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent La, three Ir, and one Al atom. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent La and three Ir atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent La, two equivalent Ir, and one Al atom.