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Title: Materials Data on Li2SbS2 by Materials Project

Abstract

Li2SbS2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a water-like geometry to two S atoms. There are one shorter (2.50 Å) and one longer (2.51 Å) Li–S bond lengths. In the second Li1+ site, Li1+ is bonded in an L-shaped geometry to two S atoms. There are one shorter (2.51 Å) and one longer (2.60 Å) Li–S bond lengths. In the third Li1+ site, Li1+ is bonded in a 3-coordinate geometry to three S atoms. There are a spread of Li–S bond distances ranging from 2.46–2.66 Å. In the fourth Li1+ site, Li1+ is bonded in a 5-coordinate geometry to two Sb2- and three S atoms. Both Li–Sb bond lengths are 2.97 Å. There are a spread of Li–S bond distances ranging from 2.43–2.47 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 3-coordinate geometry to one Li1+ and two S atoms. There are one shorter (2.44 Å) and one longer (2.50 Å) Sb–S bond lengths. In the second Sb2- site, Sb2- is bonded in a 3-coordinate geometry to one Li1+ and twomore » S atoms. There are one shorter (2.45 Å) and one longer (2.50 Å) Sb–S bond lengths. There are four inequivalent S sites. In the first S site, S is bonded in a 4-coordinate geometry to three Li1+ and one Sb2- atom. In the second S site, S is bonded in a 3-coordinate geometry to two Li1+ and one Sb2- atom. In the third S site, S is bonded in a distorted trigonal pyramidal geometry to three Li1+ and one Sb2- atom. In the fourth S site, S is bonded in a 3-coordinate geometry to two Li1+ and one Sb2- atom.« less

Publication Date:
Other Number(s):
mp-776356
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; Li2SbS2; Li-S-Sb
OSTI Identifier:
1304241
DOI:
10.17188/1304241

Citation Formats

The Materials Project. Materials Data on Li2SbS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1304241.
The Materials Project. Materials Data on Li2SbS2 by Materials Project. United States. doi:10.17188/1304241.
The Materials Project. 2020. "Materials Data on Li2SbS2 by Materials Project". United States. doi:10.17188/1304241. https://www.osti.gov/servlets/purl/1304241. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1304241,
title = {Materials Data on Li2SbS2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2SbS2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a water-like geometry to two S atoms. There are one shorter (2.50 Å) and one longer (2.51 Å) Li–S bond lengths. In the second Li1+ site, Li1+ is bonded in an L-shaped geometry to two S atoms. There are one shorter (2.51 Å) and one longer (2.60 Å) Li–S bond lengths. In the third Li1+ site, Li1+ is bonded in a 3-coordinate geometry to three S atoms. There are a spread of Li–S bond distances ranging from 2.46–2.66 Å. In the fourth Li1+ site, Li1+ is bonded in a 5-coordinate geometry to two Sb2- and three S atoms. Both Li–Sb bond lengths are 2.97 Å. There are a spread of Li–S bond distances ranging from 2.43–2.47 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 3-coordinate geometry to one Li1+ and two S atoms. There are one shorter (2.44 Å) and one longer (2.50 Å) Sb–S bond lengths. In the second Sb2- site, Sb2- is bonded in a 3-coordinate geometry to one Li1+ and two S atoms. There are one shorter (2.45 Å) and one longer (2.50 Å) Sb–S bond lengths. There are four inequivalent S sites. In the first S site, S is bonded in a 4-coordinate geometry to three Li1+ and one Sb2- atom. In the second S site, S is bonded in a 3-coordinate geometry to two Li1+ and one Sb2- atom. In the third S site, S is bonded in a distorted trigonal pyramidal geometry to three Li1+ and one Sb2- atom. In the fourth S site, S is bonded in a 3-coordinate geometry to two Li1+ and one Sb2- atom.},
doi = {10.17188/1304241},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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