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Title: Materials Data on Nb2CS2 by Materials Project

Abstract

Nb2S2C crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Nb2S2C sheets 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 2.24 Å. All Nb–S bond lengths are 2.52 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.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4384
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:
1208116
DOI:
10.17188/1208116

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Nb2CS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208116.
Persson, Kristin, & Project, Materials. Materials Data on Nb2CS2 by Materials Project. United States. doi:10.17188/1208116.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Nb2CS2 by Materials Project". United States. doi:10.17188/1208116. https://www.osti.gov/servlets/purl/1208116. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1208116,
title = {Materials Data on Nb2CS2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Nb2S2C crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Nb2S2C sheets 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 2.24 Å. All Nb–S bond lengths are 2.52 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 = {10.17188/1208116},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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