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Title: Materials Data on SmFe12 by Materials Project

Abstract

SmFe12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded to sixteen Fe atoms to form distorted face-sharing SmFe16 cuboctahedra. There are a spread of Sm–Fe bond distances ranging from 2.87–3.29 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 6-coordinate geometry to two equivalent Sm and twelve Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.45–3.04 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to one Sm and eleven Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.39–2.77 Å. In the third Fe site, Fe is bonded in a 7-coordinate geometry to one Sm and ten Fe atoms. Both Fe–Fe bond lengths are 2.26 Å.

Authors:
Publication Date:
Other Number(s):
mp-985581
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; SmFe12; Fe-Sm
OSTI Identifier:
1316701
DOI:
https://doi.org/10.17188/1316701

Citation Formats

The Materials Project. Materials Data on SmFe12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316701.
The Materials Project. Materials Data on SmFe12 by Materials Project. United States. doi:https://doi.org/10.17188/1316701
The Materials Project. 2020. "Materials Data on SmFe12 by Materials Project". United States. doi:https://doi.org/10.17188/1316701. https://www.osti.gov/servlets/purl/1316701. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1316701,
title = {Materials Data on SmFe12 by Materials Project},
author = {The Materials Project},
abstractNote = {SmFe12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded to sixteen Fe atoms to form distorted face-sharing SmFe16 cuboctahedra. There are a spread of Sm–Fe bond distances ranging from 2.87–3.29 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 6-coordinate geometry to two equivalent Sm and twelve Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.45–3.04 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to one Sm and eleven Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.39–2.77 Å. In the third Fe site, Fe is bonded in a 7-coordinate geometry to one Sm and ten Fe atoms. Both Fe–Fe bond lengths are 2.26 Å.},
doi = {10.17188/1316701},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}