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Title: Materials Data on Sm2AlGe3 by Materials Project

Abstract

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 inmore » a 9-coordinate geometry to six Sm, one Al, and two equivalent Ge atoms.« less

Publication Date:
Other Number(s):
mp-568449
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sm2AlGe3; Al-Ge-Sm
OSTI Identifier:
1274444
DOI:
10.17188/1274444

Citation Formats

The Materials Project. Materials Data on Sm2AlGe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274444.
The Materials Project. Materials Data on Sm2AlGe3 by Materials Project. United States. doi:10.17188/1274444.
The Materials Project. 2020. "Materials Data on Sm2AlGe3 by Materials Project". United States. doi:10.17188/1274444. https://www.osti.gov/servlets/purl/1274444. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1274444,
title = {Materials Data on Sm2AlGe3 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1274444},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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