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Title: Materials Data on SrLiBS3 by Materials Project

Abstract

LiSrBS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to six S2- atoms to form corner-sharing LiS6 octahedra. The corner-sharing octahedra tilt angles range from 42–48°. There are a spread of Li–S bond distances ranging from 2.46–3.10 Å. Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 3.03–3.26 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. There is two shorter (1.83 Å) and one longer (1.84 Å) B–S bond length. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Li1+, three equivalent Sr2+, and one B3+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Li1+, two equivalent Sr2+, and one B3+ atom.

Publication Date:
Other Number(s):
mp-557962
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; SrLiBS3; B-Li-S-Sr
OSTI Identifier:
1270100
DOI:
https://doi.org/10.17188/1270100

Citation Formats

The Materials Project. Materials Data on SrLiBS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270100.
The Materials Project. Materials Data on SrLiBS3 by Materials Project. United States. doi:https://doi.org/10.17188/1270100
The Materials Project. 2020. "Materials Data on SrLiBS3 by Materials Project". United States. doi:https://doi.org/10.17188/1270100. https://www.osti.gov/servlets/purl/1270100. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1270100,
title = {Materials Data on SrLiBS3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiSrBS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to six S2- atoms to form corner-sharing LiS6 octahedra. The corner-sharing octahedra tilt angles range from 42–48°. There are a spread of Li–S bond distances ranging from 2.46–3.10 Å. Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 3.03–3.26 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. There is two shorter (1.83 Å) and one longer (1.84 Å) B–S bond length. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Li1+, three equivalent Sr2+, and one B3+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Li1+, two equivalent Sr2+, and one B3+ atom.},
doi = {10.17188/1270100},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}