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

Title: Materials Data on KNbSe2 by Materials Project

Abstract

KNbSe2 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 Se2- atoms. All K–Se bond lengths are 3.24 Å. Nb3+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing NbSe6 pentagonal pyramids. All Nb–Se bond lengths are 2.66 Å. Se2- is bonded in a 6-coordinate geometry to three equivalent K1+ and three equivalent Nb3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-7940
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; KNbSe2; K-Nb-Se
OSTI Identifier:
1307849
DOI:
https://doi.org/10.17188/1307849

Citation Formats

The Materials Project. Materials Data on KNbSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1307849.
The Materials Project. Materials Data on KNbSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1307849
The Materials Project. 2020. "Materials Data on KNbSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1307849. https://www.osti.gov/servlets/purl/1307849. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1307849,
title = {Materials Data on KNbSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {KNbSe2 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 Se2- atoms. All K–Se bond lengths are 3.24 Å. Nb3+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing NbSe6 pentagonal pyramids. All Nb–Se bond lengths are 2.66 Å. Se2- is bonded in a 6-coordinate geometry to three equivalent K1+ and three equivalent Nb3+ atoms.},
doi = {10.17188/1307849},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}