Materials Data on Sm2AlGe3 by Materials Project

Dataset · Sat Jul 18 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1274444· OSTI ID:1274444

Sm2AlGe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 7-coordinate geometry to two equivalent Al and nine Ge atoms. Both Sm–Al bond lengths are 3.43 Å. There are a spread of Sm–Ge bond distances ranging from 3.04–3.35 Å. In the second Sm site, Sm is bonded in a 7-coordinate geometry to three equivalent Al and seven Ge atoms. There are one shorter (3.30 Å) and two longer (3.39 Å) Sm–Al bond lengths. There are a spread of Sm–Ge bond distances ranging from 3.03–3.13 Å. Al is bonded to five Sm and four Ge atoms to form distorted face-sharing AlSm5Ge4 tetrahedra. There are a spread of Al–Ge bond distances ranging from 2.58–2.69 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to four Sm and three equivalent Al atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six Sm and two equivalent Ge atoms. There are one shorter (2.59 Å) and one longer (2.64 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Sm, one Al, and two equivalent Ge 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: 1274444
• Report Number(s): mp-568449
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Ge-Sm
Sm2AlGe3
crystal structure