Materials Data on LaAl3Ni2 by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1724700· OSTI ID:1724700

LaNi2Al3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 7-coordinate geometry to two equivalent La, eight equivalent Ni, and eleven Al atoms. Both La–La bond lengths are 3.51 Å. There are four shorter (3.52 Å) and four longer (3.63 Å) La–Ni bond lengths. There are a spread of La–Al bond distances ranging from 3.18–3.55 Å. Ni is bonded in a 6-coordinate geometry to four equivalent La and six Al atoms. There are a spread of Ni–Al bond distances ranging from 2.40–2.53 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 11-coordinate geometry to three equivalent La, four equivalent Ni, and four Al atoms. There are two shorter (2.64 Å) and two longer (2.73 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 11-coordinate geometry to four equivalent La, four equivalent Ni, and one Al atom.

• 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: 1724700
• Report Number(s): mp-1211232
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-La-Ni
LaAl3Ni2
crystal structure