Materials Data on Y2Ga3Ni by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1726438· OSTI ID:1726438

Y2NiGa3 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to three equivalent Ni and nine Ga atoms. All Y–Ni bond lengths are 2.90 Å. There are a spread of Y–Ga bond distances ranging from 3.01–3.40 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to three equivalent Ni and nine Ga atoms. All Y–Ni bond lengths are 3.17 Å. There are six shorter (2.99 Å) and three longer (3.38 Å) Y–Ga bond lengths. Ni is bonded in a 9-coordinate geometry to six Y and three equivalent Ga atoms. All Ni–Ga bond lengths are 2.49 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six Y and three equivalent Ni atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Y and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.55 Å. In the third Ga site, Ga is bonded in a 6-coordinate geometry to six Y and three equivalent Ga 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: 1726438
• Report Number(s): mp-1216091
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ga-Ni-Y
Y2Ga3Ni
crystal structure