Title: Materials Data on ScCoSi by Materials Project

Abstract

ScCoSi crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Co ribbons oriented in the (0, 0, 1) direction and two ScSi sheets oriented in the (0, 1, 0) direction. In each Co ribbon, Co2+ is bonded in a distorted water-like geometry to two equivalent Co2+ atoms. Both Co–Co bond lengths are 2.31 Å. In each ScSi sheet, Sc2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. There are two shorter (2.85 Å) and two longer (2.93 Å) Sc–Si bond lengths. Si4- is bonded to four equivalent Sc2+ and four equivalent Si4- atoms to form a mixture of distorted corner, edge, and face-sharing SiSc4Si4 hexagonal bipyramids. All Si–Si bond lengths are 2.54 Å.

Publication Date:
Other Number(s):
mp-1024998
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-Sc-Si; crystal structure; ScCoSi
OSTI Identifier:
1355385
DOI:
https://doi.org/10.17188/1355385

Citation Formats

Materials Data on ScCoSi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1355385.
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Materials Data on ScCoSi by Materials Project. United States. doi:https://doi.org/10.17188/1355385
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2020. "Materials Data on ScCoSi by Materials Project". United States. doi:https://doi.org/10.17188/1355385. https://www.osti.gov/servlets/purl/1355385. Pub date:Sun Jul 19 20:00:00 EDT 2020
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@article{osti_1355385,
title = {Materials Data on ScCoSi by Materials Project},
abstractNote = {ScCoSi crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Co ribbons oriented in the (0, 0, 1) direction and two ScSi sheets oriented in the (0, 1, 0) direction. In each Co ribbon, Co2+ is bonded in a distorted water-like geometry to two equivalent Co2+ atoms. Both Co–Co bond lengths are 2.31 Å. In each ScSi sheet, Sc2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. There are two shorter (2.85 Å) and two longer (2.93 Å) Sc–Si bond lengths. Si4- is bonded to four equivalent Sc2+ and four equivalent Si4- atoms to form a mixture of distorted corner, edge, and face-sharing SiSc4Si4 hexagonal bipyramids. All Si–Si bond lengths are 2.54 Å.},
doi = {10.17188/1355385},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1355385
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