Materials Data on GdAl4Ni by Materials Project

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

DOI:https://doi.org/10.17188/1728202· OSTI ID:1728202

GdNiAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd is bonded in a 9-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Gd–Ni bond lengths are 3.24 Å. There are a spread of Gd–Al bond distances ranging from 2.98–3.32 Å. Ni is bonded in a 7-coordinate geometry to two equivalent Gd and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.30–2.49 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to four equivalent Gd and six Al atoms. There are four shorter (2.88 Å) and two longer (2.97 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 1-coordinate geometry to three equivalent Gd, one Ni, and four equivalent Al atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Gd, three 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: 1728202
• Report Number(s): mp-1095605
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Gd-Ni
GdAl4Ni
crystal structure