Materials Data on U2(Al3Ir)3 by Materials Project

Dataset · Thu Apr 30 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1664129· OSTI ID:1664129

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.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1664129
• Report Number(s): mp-1207966
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Ir-U
U2(Al3Ir)3
crystal structure