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Title: Materials Data on Li5SbS by Materials Project

Abstract

Li5SbS 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 distorted trigonal non-coplanar geometry to one Sb3- and two equivalent S2- atoms. The Li–Sb bond length is 2.73 Å. There are one shorter (2.38 Å) and one longer (2.41 Å) Li–S bond lengths. In the second Li1+ site, Li1+ is bonded to three equivalent Sb3- and one S2- atom to form a mixture of edge and corner-sharing LiSb3S tetrahedra. There are a spread of Li–Sb bond distances ranging from 2.85–2.90 Å. The Li–S bond length is 2.50 Å. In the third Li1+ site, Li1+ is bonded in a 4-coordinate geometry to two equivalent Sb3- and two equivalent S2- atoms. Both Li–Sb bond lengths are 3.14 Å. Both Li–S bond lengths are 2.63 Å. Sb3- is bonded in a 10-coordinate geometry to ten Li1+ atoms. S2- is bonded in a 8-coordinate geometry to eight Li1+ atoms.

Publication Date:
Other Number(s):
mp-753621
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; Li5SbS; Li-S-Sb
OSTI Identifier:
1289075
DOI:
10.17188/1289075

Citation Formats

The Materials Project. Materials Data on Li5SbS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289075.
The Materials Project. Materials Data on Li5SbS by Materials Project. United States. doi:10.17188/1289075.
The Materials Project. 2020. "Materials Data on Li5SbS by Materials Project". United States. doi:10.17188/1289075. https://www.osti.gov/servlets/purl/1289075. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1289075,
title = {Materials Data on Li5SbS by Materials Project},
author = {The Materials Project},
abstractNote = {Li5SbS 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 distorted trigonal non-coplanar geometry to one Sb3- and two equivalent S2- atoms. The Li–Sb bond length is 2.73 Å. There are one shorter (2.38 Å) and one longer (2.41 Å) Li–S bond lengths. In the second Li1+ site, Li1+ is bonded to three equivalent Sb3- and one S2- atom to form a mixture of edge and corner-sharing LiSb3S tetrahedra. There are a spread of Li–Sb bond distances ranging from 2.85–2.90 Å. The Li–S bond length is 2.50 Å. In the third Li1+ site, Li1+ is bonded in a 4-coordinate geometry to two equivalent Sb3- and two equivalent S2- atoms. Both Li–Sb bond lengths are 3.14 Å. Both Li–S bond lengths are 2.63 Å. Sb3- is bonded in a 10-coordinate geometry to ten Li1+ atoms. S2- is bonded in a 8-coordinate geometry to eight Li1+ atoms.},
doi = {10.17188/1289075},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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