Materials Data on Sm2Ga3Ni by Materials Project

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

DOI:https://doi.org/10.17188/1676322· OSTI ID:1676322

Sm2NiGa3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to three equivalent Ni and nine Ga atoms. There are one shorter (3.18 Å) and two longer (3.25 Å) Sm–Ni bond lengths. There are a spread of Sm–Ga bond distances ranging from 3.00–3.28 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to three equivalent Ni and nine Ga atoms. There are two shorter (3.04 Å) and one longer (3.06 Å) Sm–Ni bond lengths. There are a spread of Sm–Ga bond distances ranging from 3.03–3.35 Å. Ni is bonded in a 10-coordinate geometry to six Sm and four Ga atoms. There are three shorter (2.49 Å) and one longer (2.80 Å) Ni–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Sm, one Ni, and three Ga atoms. There are two shorter (2.61 Å) and one longer (2.95 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Sm, two equivalent Ni, and two Ga atoms. The Ga–Ga bond length is 2.66 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Sm, one Ni, and three 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: 1676322
• Report Number(s): mp-1219204
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ga-Ni-Sm
Sm2Ga3Ni
crystal structure