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Title: Materials Data on Nb2CS2 by Materials Project

Abstract

Nb2S2C crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Nb2S2C sheet oriented in the (0, 0, 1) direction. Nb4+ is bonded to three equivalent C4- and three equivalent S2- atoms to form a mixture of edge and corner-sharing NbC3S3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–C bond lengths are 2.25 Å. All Nb–S bond lengths are 2.51 Å. C4- is bonded to six equivalent Nb4+ atoms to form edge-sharing CNb6 octahedra. S2- is bonded in a 3-coordinate geometry to three equivalent Nb4+ atoms.

Publication Date:
Other Number(s):
mp-5745
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Nb2CS2; C-Nb-S
OSTI Identifier:
1276586
DOI:
10.17188/1276586

Citation Formats

The Materials Project. Materials Data on Nb2CS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276586.
The Materials Project. Materials Data on Nb2CS2 by Materials Project. United States. doi:10.17188/1276586.
The Materials Project. 2020. "Materials Data on Nb2CS2 by Materials Project". United States. doi:10.17188/1276586. https://www.osti.gov/servlets/purl/1276586. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1276586,
title = {Materials Data on Nb2CS2 by Materials Project},
author = {The Materials Project},
abstractNote = {Nb2S2C crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Nb2S2C sheet oriented in the (0, 0, 1) direction. Nb4+ is bonded to three equivalent C4- and three equivalent S2- atoms to form a mixture of edge and corner-sharing NbC3S3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–C bond lengths are 2.25 Å. All Nb–S bond lengths are 2.51 Å. C4- is bonded to six equivalent Nb4+ atoms to form edge-sharing CNb6 octahedra. S2- is bonded in a 3-coordinate geometry to three equivalent Nb4+ atoms.},
doi = {10.17188/1276586},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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