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Title: Materials Data on Li5SbS by Materials Project

Abstract

Li5SbS crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are five inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to one Sb3- and three equivalent S2- atoms to form a mixture of distorted edge and corner-sharing LiSbS3 tetrahedra. The Li–Sb bond length is 2.98 Å. There are a spread of Li–S bond distances ranging from 2.43–2.64 Å. In the second Li1+ site, Li1+ is bonded in a trigonal planar geometry to two equivalent Sb3- and one S2- atom. Both Li–Sb bond lengths are 2.72 Å. The Li–S bond length is 2.35 Å. In the third Li1+ site, Li1+ is bonded to one Sb3- and three equivalent S2- atoms to form a mixture of edge and corner-sharing LiSbS3 tetrahedra. The Li–Sb bond length is 2.81 Å. There are a spread of Li–S bond distances ranging from 2.48–2.68 Å. In the fourth Li1+ site, Li1+ is bonded in a distorted trigonal non-coplanar geometry to four equivalent Sb3- atoms. There are a spread of Li–Sb bond distances ranging from 2.84–3.24 Å. In the fifth Li1+ site, Li1+ is bonded to three equivalent Sb3- and one S2- atom to form a mixture of distorted edge and corner-sharingmore » LiSb3S tetrahedra. There are two shorter (2.82 Å) and one longer (3.02 Å) Li–Sb bond lengths. The Li–S bond length is 2.53 Å. Sb3- is bonded in a 11-coordinate geometry to eleven Li1+ atoms. S2- is bonded in a body-centered cubic geometry to eight Li1+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-754496
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; Li5SbS; Li-S-Sb
OSTI Identifier:
1289446
DOI:
https://doi.org/10.17188/1289446

Citation Formats

The Materials Project. Materials Data on Li5SbS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289446.
The Materials Project. Materials Data on Li5SbS by Materials Project. United States. doi:https://doi.org/10.17188/1289446
The Materials Project. 2020. "Materials Data on Li5SbS by Materials Project". United States. doi:https://doi.org/10.17188/1289446. https://www.osti.gov/servlets/purl/1289446. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1289446,
title = {Materials Data on Li5SbS by Materials Project},
author = {The Materials Project},
abstractNote = {Li5SbS crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are five inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to one Sb3- and three equivalent S2- atoms to form a mixture of distorted edge and corner-sharing LiSbS3 tetrahedra. The Li–Sb bond length is 2.98 Å. There are a spread of Li–S bond distances ranging from 2.43–2.64 Å. In the second Li1+ site, Li1+ is bonded in a trigonal planar geometry to two equivalent Sb3- and one S2- atom. Both Li–Sb bond lengths are 2.72 Å. The Li–S bond length is 2.35 Å. In the third Li1+ site, Li1+ is bonded to one Sb3- and three equivalent S2- atoms to form a mixture of edge and corner-sharing LiSbS3 tetrahedra. The Li–Sb bond length is 2.81 Å. There are a spread of Li–S bond distances ranging from 2.48–2.68 Å. In the fourth Li1+ site, Li1+ is bonded in a distorted trigonal non-coplanar geometry to four equivalent Sb3- atoms. There are a spread of Li–Sb bond distances ranging from 2.84–3.24 Å. In the fifth Li1+ site, Li1+ is bonded to three equivalent Sb3- and one S2- atom to form a mixture of distorted edge and corner-sharing LiSb3S tetrahedra. There are two shorter (2.82 Å) and one longer (3.02 Å) Li–Sb bond lengths. The Li–S bond length is 2.53 Å. Sb3- is bonded in a 11-coordinate geometry to eleven Li1+ atoms. S2- is bonded in a body-centered cubic geometry to eight Li1+ atoms.},
doi = {10.17188/1289446},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}