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Title: Materials Data on NbSe2 by Materials Project

Abstract

NbSe2 is Molybdenite-like structured and crystallizes in the orthorhombic C222_1 space group. The structure is two-dimensional and consists of four NbSe2 sheets oriented in the (0, 0, 1) direction. Nb4+ is bonded to six Se2- atoms to form distorted edge-sharing NbSe6 pentagonal pyramids. There are three shorter (2.63 Å) and three longer (2.64 Å) Nb–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Nb4+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Nb4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-568347
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; NbSe2; Nb-Se
OSTI Identifier:
1274381
DOI:
https://doi.org/10.17188/1274381

Citation Formats

The Materials Project. Materials Data on NbSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274381.
The Materials Project. Materials Data on NbSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1274381
The Materials Project. 2020. "Materials Data on NbSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1274381. https://www.osti.gov/servlets/purl/1274381. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1274381,
title = {Materials Data on NbSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {NbSe2 is Molybdenite-like structured and crystallizes in the orthorhombic C222_1 space group. The structure is two-dimensional and consists of four NbSe2 sheets oriented in the (0, 0, 1) direction. Nb4+ is bonded to six Se2- atoms to form distorted edge-sharing NbSe6 pentagonal pyramids. There are three shorter (2.63 Å) and three longer (2.64 Å) Nb–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Nb4+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Nb4+ atoms.},
doi = {10.17188/1274381},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}