Materials Data on Yb2(Al3Ir)3 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1689089· OSTI ID:1689089

Yb2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Yb–Al bond distances ranging from 3.07–3.14 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 2.56–2.61 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Al atoms. There are two shorter (2.59 Å) and six longer (2.60 Å) Ir–Al bond lengths. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Yb, two equivalent Ir, and six Al atoms. There are two shorter (2.74 Å) and four longer (2.79 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Yb, three Ir, and two Al atoms. The Al–Al bond length is 2.82 Å. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Yb, three Ir, and two equivalent Al atoms. Both Al–Al bond lengths are 2.91 Å. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Yb, two equivalent Ir, and six Al atoms. The Al–Al bond length is 2.74 Å.

• 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: 1689089
• Report Number(s): mp-1207613
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Ir-Yb
Yb2(Al3Ir)3
crystal structure