Materials Data on LaGa2Ni by Materials Project

Dataset · Tue Jul 14 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1662174· OSTI ID:1662174

LaNiGa2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ga atoms. All La–Ni bond lengths are 3.26 Å. There are a spread of La–Ga bond distances ranging from 3.24–3.38 Å. Ni is bonded in a 10-coordinate geometry to four equivalent La, one Ni, and five Ga atoms. The Ni–Ni bond length is 2.49 Å. There are a spread of Ni–Ga bond distances ranging from 2.43–2.48 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent La and four equivalent Ni atoms. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent La and four equivalent Ni atoms. In the third Ga site, Ga is bonded in a 1-coordinate geometry to six equivalent La, one Ni, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.59 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: 1662174
• Report Number(s): mp-1079217
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ga-La-Ni
LaGa2Ni
crystal structure