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Title: Materials Data on Sm(Al3Fe)3 by Materials Project

Abstract

Sm(FeAl3)3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to six Fe and fourteen Al atoms. There are two shorter (3.38 Å) and four longer (3.40 Å) Sm–Fe bond lengths. There are a spread of Sm–Al bond distances ranging from 3.08–3.36 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Sm and ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.53–2.75 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Sm, two equivalent Fe, and eight Al atoms. Both Fe–Fe bond lengths are 2.53 Å. There are a spread of Fe–Al bond distances ranging from 2.50–2.66 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Sm, three Fe, and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.65–2.91 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one Sm, three Fe, and six Al atoms. There are one shorter (2.74 Å) andmore » one longer (2.78 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a distorted linear geometry to two equivalent Sm, two equivalent Fe, and eight Al atoms.« less

Publication Date:
Other Number(s):
mp-1219228
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; Sm(Al3Fe)3; Al-Fe-Sm
OSTI Identifier:
1656179
DOI:
https://doi.org/10.17188/1656179

Citation Formats

The Materials Project. Materials Data on Sm(Al3Fe)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656179.
The Materials Project. Materials Data on Sm(Al3Fe)3 by Materials Project. United States. doi:https://doi.org/10.17188/1656179
The Materials Project. 2020. "Materials Data on Sm(Al3Fe)3 by Materials Project". United States. doi:https://doi.org/10.17188/1656179. https://www.osti.gov/servlets/purl/1656179. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1656179,
title = {Materials Data on Sm(Al3Fe)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm(FeAl3)3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to six Fe and fourteen Al atoms. There are two shorter (3.38 Å) and four longer (3.40 Å) Sm–Fe bond lengths. There are a spread of Sm–Al bond distances ranging from 3.08–3.36 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Sm and ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.53–2.75 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Sm, two equivalent Fe, and eight Al atoms. Both Fe–Fe bond lengths are 2.53 Å. There are a spread of Fe–Al bond distances ranging from 2.50–2.66 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Sm, three Fe, and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.65–2.91 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one Sm, three Fe, and six Al atoms. There are one shorter (2.74 Å) and one longer (2.78 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a distorted linear geometry to two equivalent Sm, two equivalent Fe, and eight Al atoms.},
doi = {10.17188/1656179},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}