Materials Data on Al3Ir by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1199100· OSTI ID:1199100

The Materials Project

IrAl3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ir is bonded in a 5-coordinate geometry to eleven Al atoms. There are a spread of Ir–Al bond distances ranging from 2.48–2.82 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a trigonal planar geometry to three equivalent Ir and six equivalent Al atoms. All Al–Al bond lengths are 2.82 Å. In the second Al site, Al is bonded in a 1-coordinate geometry to four equivalent Ir and seven Al atoms. There are one shorter (2.66 Å) and three longer (2.77 Å) Al–Al bond lengths.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1199100
• Report Number(s): mp-2294
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Al3Ir
Al-Ir