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Title: Materials Data on SmFeSi2 by Materials Project

Abstract

SmFeSi2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to three equivalent Fe and nine Si atoms. There are two shorter (3.13 Å) and one longer (3.20 Å) Sm–Fe bond lengths. There are a spread of Sm–Si bond distances ranging from 2.92–3.23 Å. Fe is bonded in a 5-coordinate geometry to three equivalent Sm and five Si atoms. There are a spread of Fe–Si bond distances ranging from 2.26–2.35 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Sm, one Fe, and two equivalent Si atoms. Both Si–Si bond lengths are 2.51 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to three equivalent Sm, four equivalent Fe, and two equivalent Si atoms. Both Si–Si bond lengths are 2.51 Å.

Authors:
Publication Date:
Other Number(s):
mp-1207071
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SmFeSi2; Fe-Si-Sm
OSTI Identifier:
1740746
DOI:
https://doi.org/10.17188/1740746

Citation Formats

The Materials Project. Materials Data on SmFeSi2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740746.
The Materials Project. Materials Data on SmFeSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1740746
The Materials Project. 2020. "Materials Data on SmFeSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1740746. https://www.osti.gov/servlets/purl/1740746. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1740746,
title = {Materials Data on SmFeSi2 by Materials Project},
author = {The Materials Project},
abstractNote = {SmFeSi2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to three equivalent Fe and nine Si atoms. There are two shorter (3.13 Å) and one longer (3.20 Å) Sm–Fe bond lengths. There are a spread of Sm–Si bond distances ranging from 2.92–3.23 Å. Fe is bonded in a 5-coordinate geometry to three equivalent Sm and five Si atoms. There are a spread of Fe–Si bond distances ranging from 2.26–2.35 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Sm, one Fe, and two equivalent Si atoms. Both Si–Si bond lengths are 2.51 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to three equivalent Sm, four equivalent Fe, and two equivalent Si atoms. Both Si–Si bond lengths are 2.51 Å.},
doi = {10.17188/1740746},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}