Title: Materials Data on SmSI by Materials Project

Abstract

SmSI is Cotunnite-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three SmSI sheets oriented in the (0, 0, 1) direction. Sm3+ is bonded in a 7-coordinate geometry to four equivalent S2- and three equivalent I1- atoms. There are three shorter (2.76 Å) and one longer (2.83 Å) Sm–S bond lengths. All Sm–I bond lengths are 3.33 Å. S2- is bonded to four equivalent Sm3+ atoms to form a mixture of edge and corner-sharing SSm4 tetrahedra. I1- is bonded in a 3-coordinate geometry to three equivalent Sm3+ atoms.

Publication Date:
Other Number(s):
mp-541073
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; I-S-Sm; SmSI
OSTI Identifier:
1264941
DOI:
https://doi.org/10.17188/1264941

Citation Formats

Materials Data on SmSI by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1264941.
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Materials Data on SmSI by Materials Project. United States. doi:https://doi.org/10.17188/1264941
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2020. "Materials Data on SmSI by Materials Project". United States. doi:https://doi.org/10.17188/1264941. https://www.osti.gov/servlets/purl/1264941. Pub date:Thu Jul 16 20:00:00 EDT 2020
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@article{osti_1264941,
title = {Materials Data on SmSI by Materials Project},
abstractNote = {SmSI is Cotunnite-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three SmSI sheets oriented in the (0, 0, 1) direction. Sm3+ is bonded in a 7-coordinate geometry to four equivalent S2- and three equivalent I1- atoms. There are three shorter (2.76 Å) and one longer (2.83 Å) Sm–S bond lengths. All Sm–I bond lengths are 3.33 Å. S2- is bonded to four equivalent Sm3+ atoms to form a mixture of edge and corner-sharing SSm4 tetrahedra. I1- is bonded in a 3-coordinate geometry to three equivalent Sm3+ atoms.},
doi = {10.17188/1264941},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1264941
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