Title: Materials Data on Sc7CoI12 by Materials Project

Abstract

Sc7CoI12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in an octahedral geometry to six equivalent I atoms. All Sc–I bond lengths are 2.91 Å. In the second Sc site, Sc is bonded in a 6-coordinate geometry to one Co and five I atoms. The Sc–Co bond length is 2.43 Å. There are a spread of Sc–I bond distances ranging from 2.93–3.51 Å. Co is bonded in an octahedral geometry to six equivalent Sc atoms. There are two inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to three equivalent Sc atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three Sc atoms.

Publication Date:
Other Number(s):
mp-541175
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; Co-I-Sc; crystal structure; Sc7CoI12
OSTI Identifier:
1264985
DOI:
https://doi.org/10.17188/1264985

Citation Formats

Materials Data on Sc7CoI12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1264985.
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Materials Data on Sc7CoI12 by Materials Project. United States. doi:https://doi.org/10.17188/1264985
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2020. "Materials Data on Sc7CoI12 by Materials Project". United States. doi:https://doi.org/10.17188/1264985. https://www.osti.gov/servlets/purl/1264985. Pub date:Wed Jul 22 20:00:00 EDT 2020
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@article{osti_1264985,
title = {Materials Data on Sc7CoI12 by Materials Project},
abstractNote = {Sc7CoI12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in an octahedral geometry to six equivalent I atoms. All Sc–I bond lengths are 2.91 Å. In the second Sc site, Sc is bonded in a 6-coordinate geometry to one Co and five I atoms. The Sc–Co bond length is 2.43 Å. There are a spread of Sc–I bond distances ranging from 2.93–3.51 Å. Co is bonded in an octahedral geometry to six equivalent Sc atoms. There are two inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to three equivalent Sc atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three Sc atoms.},
doi = {10.17188/1264985},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1264985
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