Materials Data on U2(Al3Ir)3 by Materials Project

Abstract

U2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U is bonded in a 11-coordinate geometry to six Ir and eleven Al atoms. There are four shorter (3.43 Å) and two longer (3.46 Å) U–Ir bond lengths. There are a spread of U–Al bond distances ranging from 3.04–3.17 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent U and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.56–2.65 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent U and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.54–2.63 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent U and two equivalent Ir atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent U and three Ir atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent U and three Ir atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent U and two equivalent Ir atoms.