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Title: Materials Data on Li6SbS2 by Materials Project

Abstract

Li6SbS2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 1-coordinate geometry to three equivalent Sb2- and one S2- atom. There are a spread of Li–Sb bond distances ranging from 2.97–3.19 Å. The Li–S bond length is 2.39 Å. In the second Li1+ site, Li1+ is bonded in a 3-coordinate geometry to one Sb2- and two equivalent S2- atoms. The Li–Sb bond length is 2.88 Å. There are one shorter (2.34 Å) and one longer (2.35 Å) Li–S bond lengths. In the third Li1+ site, Li1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. There are a spread of Li–S bond distances ranging from 2.32–2.40 Å. Sb2- is bonded in a 12-coordinate geometry to eight Li1+ atoms. S2- is bonded to six Li1+ atoms to form a mixture of edge and corner-sharing SLi6 octahedra. The corner-sharing octahedra tilt angles range from 51–60°.

Authors:
Publication Date:
Other Number(s):
mp-1176934
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; Li6SbS2; Li-S-Sb
OSTI Identifier:
1748444
DOI:
https://doi.org/10.17188/1748444

Citation Formats

The Materials Project. Materials Data on Li6SbS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748444.
The Materials Project. Materials Data on Li6SbS2 by Materials Project. United States. doi:https://doi.org/10.17188/1748444
The Materials Project. 2020. "Materials Data on Li6SbS2 by Materials Project". United States. doi:https://doi.org/10.17188/1748444. https://www.osti.gov/servlets/purl/1748444. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1748444,
title = {Materials Data on Li6SbS2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li6SbS2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 1-coordinate geometry to three equivalent Sb2- and one S2- atom. There are a spread of Li–Sb bond distances ranging from 2.97–3.19 Å. The Li–S bond length is 2.39 Å. In the second Li1+ site, Li1+ is bonded in a 3-coordinate geometry to one Sb2- and two equivalent S2- atoms. The Li–Sb bond length is 2.88 Å. There are one shorter (2.34 Å) and one longer (2.35 Å) Li–S bond lengths. In the third Li1+ site, Li1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. There are a spread of Li–S bond distances ranging from 2.32–2.40 Å. Sb2- is bonded in a 12-coordinate geometry to eight Li1+ atoms. S2- is bonded to six Li1+ atoms to form a mixture of edge and corner-sharing SLi6 octahedra. The corner-sharing octahedra tilt angles range from 51–60°.},
doi = {10.17188/1748444},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}