Materials Data on Sm2Ga3Co by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1729034· OSTI ID:1729034

Sm2CoGa3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to two equivalent Co and ten Ga atoms to form a mixture of distorted edge and face-sharing SmGa10Co2 cuboctahedra. Both Sm–Co bond lengths are 3.01 Å. There are a spread of Sm–Ga bond distances ranging from 3.11–3.39 Å. In the second Sm site, Sm is bonded to four equivalent Co and eight Ga atoms to form a mixture of edge and face-sharing SmGa8Co4 cuboctahedra. All Sm–Co bond lengths are 3.12 Å. There are a spread of Sm–Ga bond distances ranging from 3.04–3.27 Å. Co is bonded in a 9-coordinate geometry to six Sm and three Ga atoms. There are two shorter (2.44 Å) and one longer (2.48 Å) Co–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six Sm and three Ga atoms. There are two shorter (2.55 Å) and one longer (2.58 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Sm, two equivalent Co, and one Ga atom. In the third Ga site, Ga is bonded in a 1-coordinate geometry to six Sm, one Co, and two 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: 1729034
• Report Number(s): mp-1219202
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-Ga-Sm
Sm2Ga3Co
crystal structure