Title: Materials Data on NbInS2 by Materials Project

Abstract

NbInS2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nb3+ is bonded to six equivalent S2- atoms to form distorted edge-sharing NbS6 pentagonal pyramids. All Nb–S bond lengths are 2.49 Å. In1+ is bonded in a linear geometry to two equivalent S2- atoms. Both In–S bond lengths are 2.84 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Nb3+ and one In1+ atom.

Publication Date:
Other Number(s):
mp-1018022
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; In-Nb-S; NbInS2
OSTI Identifier:
1350124
DOI:
https://doi.org/10.17188/1350124

Citation Formats

Materials Data on NbInS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350124.
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Materials Data on NbInS2 by Materials Project. United States. doi:https://doi.org/10.17188/1350124
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2020. "Materials Data on NbInS2 by Materials Project". United States. doi:https://doi.org/10.17188/1350124. https://www.osti.gov/servlets/purl/1350124. Pub date:Wed Jul 15 20:00:00 EDT 2020
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@article{osti_1350124,
title = {Materials Data on NbInS2 by Materials Project},
abstractNote = {NbInS2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nb3+ is bonded to six equivalent S2- atoms to form distorted edge-sharing NbS6 pentagonal pyramids. All Nb–S bond lengths are 2.49 Å. In1+ is bonded in a linear geometry to two equivalent S2- atoms. Both In–S bond lengths are 2.84 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Nb3+ and one In1+ atom.},
doi = {10.17188/1350124},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1350124
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