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Title: Materials Data on Li5SbS by Materials Project

Abstract

Li5SbS crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are ten inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted bent 150 degrees geometry to one Sb3- and two S2- atoms. The Li–Sb bond length is 3.14 Å. There are one shorter (2.41 Å) and one longer (2.57 Å) Li–S bond lengths. In the second Li1+ site, Li1+ is bonded in a distorted trigonal planar geometry to two Sb3- and one S2- atom. There are one shorter (2.68 Å) and one longer (2.74 Å) Li–Sb bond lengths. The Li–S bond length is 2.34 Å. In the third Li1+ site, Li1+ is bonded in a trigonal planar geometry to two Sb3- and one S2- atom. There are one shorter (2.66 Å) and one longer (2.71 Å) Li–Sb bond lengths. The Li–S bond length is 2.35 Å. In the fourth Li1+ site, Li1+ is bonded in a 4-coordinate geometry to three Sb3- and one S2- atom. There are a spread of Li–Sb bond distances ranging from 2.76–3.03 Å. The Li–S bond length is 2.53 Å. In the fifth Li1+ site, Li1+ is bonded in a 2-coordinate geometry to two Sb3- and two S2-more » atoms. There are one shorter (2.99 Å) and one longer (3.06 Å) Li–Sb bond lengths. There are one shorter (2.61 Å) and one longer (2.63 Å) Li–S bond lengths. In the sixth Li1+ site, Li1+ is bonded in a 2-coordinate geometry to two Sb3- and two S2- atoms. There are one shorter (2.97 Å) and one longer (3.07 Å) Li–Sb bond lengths. There are one shorter (2.60 Å) and one longer (2.61 Å) Li–S bond lengths. In the seventh Li1+ site, Li1+ is bonded in a 4-coordinate geometry to three Sb3- and one S2- atom. There are a spread of Li–Sb bond distances ranging from 2.76–2.99 Å. The Li–S bond length is 2.54 Å. In the eighth Li1+ site, Li1+ is bonded in a distorted trigonal planar geometry to two Sb3- and one S2- atom. There are one shorter (2.70 Å) and one longer (2.82 Å) Li–Sb bond lengths. The Li–S bond length is 2.39 Å. In the ninth Li1+ site, Li1+ is bonded in a distorted trigonal planar geometry to two Sb3- and one S2- atom. There are one shorter (2.70 Å) and one longer (2.82 Å) Li–Sb bond lengths. The Li–S bond length is 2.40 Å. In the tenth Li1+ site, Li1+ is bonded in a trigonal planar geometry to one Sb3- and two S2- atoms. The Li–Sb bond length is 2.68 Å. There are one shorter (2.35 Å) and one longer (2.43 Å) Li–S bond lengths. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 10-coordinate geometry to ten Li1+ atoms. In the second Sb3- site, Sb3- is bonded in a 10-coordinate geometry to ten Li1+ atoms. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a pentagonal bipyramidal geometry to seven Li1+ atoms. In the second S2- site, S2- is bonded in a 7-coordinate geometry to seven Li1+ atoms.« less

Publication Date:
Other Number(s):
mp-767471
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:
1297626
DOI:
10.17188/1297626

Citation Formats

The Materials Project. Materials Data on Li5SbS by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1297626.
The Materials Project. Materials Data on Li5SbS by Materials Project. United States. doi:10.17188/1297626.
The Materials Project. 2017. "Materials Data on Li5SbS by Materials Project". United States. doi:10.17188/1297626. https://www.osti.gov/servlets/purl/1297626. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1297626,
title = {Materials Data on Li5SbS by Materials Project},
author = {The Materials Project},
abstractNote = {Li5SbS crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are ten inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted bent 150 degrees geometry to one Sb3- and two S2- atoms. The Li–Sb bond length is 3.14 Å. There are one shorter (2.41 Å) and one longer (2.57 Å) Li–S bond lengths. In the second Li1+ site, Li1+ is bonded in a distorted trigonal planar geometry to two Sb3- and one S2- atom. There are one shorter (2.68 Å) and one longer (2.74 Å) Li–Sb bond lengths. The Li–S bond length is 2.34 Å. In the third Li1+ site, Li1+ is bonded in a trigonal planar geometry to two Sb3- and one S2- atom. There are one shorter (2.66 Å) and one longer (2.71 Å) Li–Sb bond lengths. The Li–S bond length is 2.35 Å. In the fourth Li1+ site, Li1+ is bonded in a 4-coordinate geometry to three Sb3- and one S2- atom. There are a spread of Li–Sb bond distances ranging from 2.76–3.03 Å. The Li–S bond length is 2.53 Å. In the fifth Li1+ site, Li1+ is bonded in a 2-coordinate geometry to two Sb3- and two S2- atoms. There are one shorter (2.99 Å) and one longer (3.06 Å) Li–Sb bond lengths. There are one shorter (2.61 Å) and one longer (2.63 Å) Li–S bond lengths. In the sixth Li1+ site, Li1+ is bonded in a 2-coordinate geometry to two Sb3- and two S2- atoms. There are one shorter (2.97 Å) and one longer (3.07 Å) Li–Sb bond lengths. There are one shorter (2.60 Å) and one longer (2.61 Å) Li–S bond lengths. In the seventh Li1+ site, Li1+ is bonded in a 4-coordinate geometry to three Sb3- and one S2- atom. There are a spread of Li–Sb bond distances ranging from 2.76–2.99 Å. The Li–S bond length is 2.54 Å. In the eighth Li1+ site, Li1+ is bonded in a distorted trigonal planar geometry to two Sb3- and one S2- atom. There are one shorter (2.70 Å) and one longer (2.82 Å) Li–Sb bond lengths. The Li–S bond length is 2.39 Å. In the ninth Li1+ site, Li1+ is bonded in a distorted trigonal planar geometry to two Sb3- and one S2- atom. There are one shorter (2.70 Å) and one longer (2.82 Å) Li–Sb bond lengths. The Li–S bond length is 2.40 Å. In the tenth Li1+ site, Li1+ is bonded in a trigonal planar geometry to one Sb3- and two S2- atoms. The Li–Sb bond length is 2.68 Å. There are one shorter (2.35 Å) and one longer (2.43 Å) Li–S bond lengths. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 10-coordinate geometry to ten Li1+ atoms. In the second Sb3- site, Sb3- is bonded in a 10-coordinate geometry to ten Li1+ atoms. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a pentagonal bipyramidal geometry to seven Li1+ atoms. In the second S2- site, S2- is bonded in a 7-coordinate geometry to seven Li1+ atoms.},
doi = {10.17188/1297626},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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