Materials Data on AlPd by Materials Project

Dataset · Thu Jul 23 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1281703· OSTI ID:1281703

PdAl is beta-prime palladium aluminum structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 7-coordinate geometry to seven Al atoms. There are a spread of Pd–Al bond distances ranging from 2.62–2.66 Å. In the second Pd site, Pd is bonded in a 7-coordinate geometry to seven Al atoms. There are a spread of Pd–Al bond distances ranging from 2.60–2.66 Å. In the third Pd site, Pd is bonded in a body-centered cubic geometry to eight Al atoms. There are six shorter (2.63 Å) and two longer (2.66 Å) Pd–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 7-coordinate geometry to seven Pd atoms. In the second Al site, Al is bonded in a 7-coordinate geometry to seven Pd atoms. In the third Al site, Al is bonded in a body-centered cubic geometry to eight Pd 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: 1281703
• Report Number(s): mp-669546
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Pd
AlPd
crystal structure