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Title: Materials Data on Li9S3N by Materials Project

Abstract

Li9S3N crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to one N3- and three equivalent S2- atoms. The Li–N bond length is 2.08 Å. All Li–S bond lengths are 2.51 Å. In the second Li1+ site, Li1+ is bonded to six equivalent S2- atoms to form corner-sharing LiS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–S bond lengths are 2.76 Å. N3- is bonded in a body-centered cubic geometry to eight equivalent Li1+ atoms. S2- is bonded in a distorted q6 geometry to ten Li1+ atoms.

Publication Date:
Other Number(s):
mp-557964
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; Li9S3N; Li-N-S
OSTI Identifier:
1270101
DOI:
10.17188/1270101

Citation Formats

The Materials Project. Materials Data on Li9S3N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270101.
The Materials Project. Materials Data on Li9S3N by Materials Project. United States. doi:10.17188/1270101.
The Materials Project. 2020. "Materials Data on Li9S3N by Materials Project". United States. doi:10.17188/1270101. https://www.osti.gov/servlets/purl/1270101. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1270101,
title = {Materials Data on Li9S3N by Materials Project},
author = {The Materials Project},
abstractNote = {Li9S3N crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to one N3- and three equivalent S2- atoms. The Li–N bond length is 2.08 Å. All Li–S bond lengths are 2.51 Å. In the second Li1+ site, Li1+ is bonded to six equivalent S2- atoms to form corner-sharing LiS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–S bond lengths are 2.76 Å. N3- is bonded in a body-centered cubic geometry to eight equivalent Li1+ atoms. S2- is bonded in a distorted q6 geometry to ten Li1+ atoms.},
doi = {10.17188/1270101},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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