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Title: Materials Data on Li3NbS4 by Materials Project

Abstract

Li3NbS4 is Sulvanite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent S2- atoms to form distorted LiS4 tetrahedra that share corners with eight equivalent LiS4 tetrahedra and edges with two equivalent NbS4 tetrahedra. All Li–S bond lengths are 2.55 Å. Nb5+ is bonded to four equivalent S2- atoms to form NbS4 tetrahedra that share edges with six equivalent LiS4 tetrahedra. All Nb–S bond lengths are 2.29 Å. S2- is bonded to three equivalent Li1+ and one Nb5+ atom to form a mixture of distorted edge and corner-sharing SLi3Nb trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-755309
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; Li3NbS4; Li-Nb-S
OSTI Identifier:
1289894
DOI:
https://doi.org/10.17188/1289894

Citation Formats

The Materials Project. Materials Data on Li3NbS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289894.
The Materials Project. Materials Data on Li3NbS4 by Materials Project. United States. doi:https://doi.org/10.17188/1289894
The Materials Project. 2020. "Materials Data on Li3NbS4 by Materials Project". United States. doi:https://doi.org/10.17188/1289894. https://www.osti.gov/servlets/purl/1289894. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1289894,
title = {Materials Data on Li3NbS4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li3NbS4 is Sulvanite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent S2- atoms to form distorted LiS4 tetrahedra that share corners with eight equivalent LiS4 tetrahedra and edges with two equivalent NbS4 tetrahedra. All Li–S bond lengths are 2.55 Å. Nb5+ is bonded to four equivalent S2- atoms to form NbS4 tetrahedra that share edges with six equivalent LiS4 tetrahedra. All Nb–S bond lengths are 2.29 Å. S2- is bonded to three equivalent Li1+ and one Nb5+ atom to form a mixture of distorted edge and corner-sharing SLi3Nb trigonal pyramids.},
doi = {10.17188/1289894},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}