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Title: Materials Data on LiHS by Materials Project

Abstract

LiSH crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. All Li–S bond lengths are 2.51 Å. In the second Li1+ site, Li1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. All Li–S bond lengths are 2.51 Å. H1+ is bonded in a single-bond geometry to one S2- atom. The H–S bond length is 1.35 Å. S2- is bonded to four Li1+ and one H1+ atom to form a mixture of distorted edge and corner-sharing SLi4H square pyramids.

Publication Date:
Other Number(s):
mp-30959
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; LiHS; H-Li-S
OSTI Identifier:
1205297
DOI:
10.17188/1205297

Citation Formats

The Materials Project. Materials Data on LiHS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205297.
The Materials Project. Materials Data on LiHS by Materials Project. United States. doi:10.17188/1205297.
The Materials Project. 2020. "Materials Data on LiHS by Materials Project". United States. doi:10.17188/1205297. https://www.osti.gov/servlets/purl/1205297. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1205297,
title = {Materials Data on LiHS by Materials Project},
author = {The Materials Project},
abstractNote = {LiSH crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. All Li–S bond lengths are 2.51 Å. In the second Li1+ site, Li1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. All Li–S bond lengths are 2.51 Å. H1+ is bonded in a single-bond geometry to one S2- atom. The H–S bond length is 1.35 Å. S2- is bonded to four Li1+ and one H1+ atom to form a mixture of distorted edge and corner-sharing SLi4H square pyramids.},
doi = {10.17188/1205297},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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