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Title: Materials Data on KNbS2 by Materials Project

Abstract

KNbS2 is Tungsten Carbide-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All K–S bond lengths are 3.10 Å. Nb3+ is bonded to six equivalent S2- atoms to form distorted edge-sharing NbS6 pentagonal pyramids. All Nb–S bond lengths are 2.53 Å. S2- is bonded in a 6-coordinate geometry to three equivalent K1+ and three equivalent Nb3+ atoms.

Publication Date:
Other Number(s):
mp-7938
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; KNbS2; K-Nb-S
OSTI Identifier:
1307846
DOI:
https://doi.org/10.17188/1307846

Citation Formats

The Materials Project. Materials Data on KNbS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1307846.
The Materials Project. Materials Data on KNbS2 by Materials Project. United States. doi:https://doi.org/10.17188/1307846
The Materials Project. 2020. "Materials Data on KNbS2 by Materials Project". United States. doi:https://doi.org/10.17188/1307846. https://www.osti.gov/servlets/purl/1307846. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1307846,
title = {Materials Data on KNbS2 by Materials Project},
author = {The Materials Project},
abstractNote = {KNbS2 is Tungsten Carbide-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All K–S bond lengths are 3.10 Å. Nb3+ is bonded to six equivalent S2- atoms to form distorted edge-sharing NbS6 pentagonal pyramids. All Nb–S bond lengths are 2.53 Å. S2- is bonded in a 6-coordinate geometry to three equivalent K1+ and three equivalent Nb3+ atoms.},
doi = {10.17188/1307846},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}