Materials Data on GdAlNi by Materials Project

Dataset · Fri Jun 05 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1741016· OSTI ID:1741016

GdNiAl crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 11-coordinate geometry to five Ni and six Al atoms. There are four shorter (2.87 Å) and one longer (2.98 Å) Gd–Ni bond lengths. There are two shorter (3.13 Å) and four longer (3.22 Å) Gd–Al bond lengths. In the second Gd site, Gd is bonded in a 11-coordinate geometry to five Ni and six Al atoms. There are four shorter (2.86 Å) and one longer (2.97 Å) Gd–Ni bond lengths. There are two shorter (3.13 Å) and four longer (3.22 Å) Gd–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three Gd and six Al atoms. All Ni–Al bond lengths are 2.53 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six Gd and three Al atoms. There are one shorter (2.78 Å) and two longer (2.80 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 six Gd, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.86 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to six Gd, four Ni, and two Al atoms. The Al–Al bond length is 2.86 Å.

• 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: 1741016
• Report Number(s): mp-1101090
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Gd-Ni
GdAlNi
crystal structure