Materials Data on GdAl3Ni2 by Materials Project

Dataset · Thu Apr 30 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1749764· OSTI ID:1749764

GdNi2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 6-coordinate geometry to six equivalent Ni and twelve Al atoms. All Gd–Ni bond lengths are 3.16 Å. There are six shorter (3.19 Å) and six longer (3.33 Å) Gd–Al bond lengths. In the second Gd site, Gd is bonded in a hexagonal planar geometry to six equivalent Ni atoms. All Gd–Ni bond lengths are 2.84 Å. Ni is bonded in a 9-coordinate geometry to three Gd and six Al atoms. There are four shorter (2.50 Å) and two longer (2.53 Å) Ni–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four equivalent Gd and four equivalent Ni atoms. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Gd and four equivalent Ni 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: 1749764
• Report Number(s): mp-1212604
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Gd-Ni
GdAl3Ni2
crystal structure