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Title: Materials Data on SmCoSi3 by Materials Project

Abstract

SmCoSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sm3+ is bonded to twelve Si+1.33- atoms to form a mixture of corner, edge, and face-sharing SmSi12 cuboctahedra. There are a spread of Sm–Si bond distances ranging from 2.99–3.19 Å. Co1+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.24 Å) and four longer (2.26 Å) Co–Si bond lengths. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 2-coordinate geometry to four equivalent Sm3+, two equivalent Co1+, and two equivalent Si+1.33- atoms. Both Si–Si bond lengths are 2.59 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to four equivalent Sm3+, one Co1+, and four equivalent Si+1.33- atoms.

Authors:
Publication Date:
Other Number(s):
mp-972659
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; SmCoSi3; Co-Si-Sm
OSTI Identifier:
1313901
DOI:
https://doi.org/10.17188/1313901

Citation Formats

The Materials Project. Materials Data on SmCoSi3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313901.
The Materials Project. Materials Data on SmCoSi3 by Materials Project. United States. doi:https://doi.org/10.17188/1313901
The Materials Project. 2020. "Materials Data on SmCoSi3 by Materials Project". United States. doi:https://doi.org/10.17188/1313901. https://www.osti.gov/servlets/purl/1313901. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1313901,
title = {Materials Data on SmCoSi3 by Materials Project},
author = {The Materials Project},
abstractNote = {SmCoSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sm3+ is bonded to twelve Si+1.33- atoms to form a mixture of corner, edge, and face-sharing SmSi12 cuboctahedra. There are a spread of Sm–Si bond distances ranging from 2.99–3.19 Å. Co1+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.24 Å) and four longer (2.26 Å) Co–Si bond lengths. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 2-coordinate geometry to four equivalent Sm3+, two equivalent Co1+, and two equivalent Si+1.33- atoms. Both Si–Si bond lengths are 2.59 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to four equivalent Sm3+, one Co1+, and four equivalent Si+1.33- atoms.},
doi = {10.17188/1313901},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}