DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Nb3WS8 by Materials Project

Abstract

(NbS2)3WS2 is Molybdenite-derived structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of nine NbS2 sheets oriented in the (0, 0, 1) direction and three WS2 sheets oriented in the (0, 0, 1) direction. In each NbS2 sheet, Nb+4.67+ is bonded to six equivalent S2- atoms to form distorted edge-sharing NbS6 pentagonal pyramids. All Nb–S bond lengths are 2.49 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Nb+4.67+ atoms. In each WS2 sheet, W2+ is bonded to six equivalent S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.45 Å. S2- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1220620
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Nb3WS8; Nb-S-W
OSTI Identifier:
1732837
DOI:
https://doi.org/10.17188/1732837

Citation Formats

The Materials Project. Materials Data on Nb3WS8 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1732837.
The Materials Project. Materials Data on Nb3WS8 by Materials Project. United States. doi:https://doi.org/10.17188/1732837
The Materials Project. 2019. "Materials Data on Nb3WS8 by Materials Project". United States. doi:https://doi.org/10.17188/1732837. https://www.osti.gov/servlets/purl/1732837. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1732837,
title = {Materials Data on Nb3WS8 by Materials Project},
author = {The Materials Project},
abstractNote = {(NbS2)3WS2 is Molybdenite-derived structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of nine NbS2 sheets oriented in the (0, 0, 1) direction and three WS2 sheets oriented in the (0, 0, 1) direction. In each NbS2 sheet, Nb+4.67+ is bonded to six equivalent S2- atoms to form distorted edge-sharing NbS6 pentagonal pyramids. All Nb–S bond lengths are 2.49 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Nb+4.67+ atoms. In each WS2 sheet, W2+ is bonded to six equivalent S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.45 Å. S2- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms.},
doi = {10.17188/1732837},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}