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Title: Materials Data on CsBS2 by Materials Project

Abstract

SBSCs crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Cs1+ is bonded in a 1-coordinate geometry to nine S2- atoms. There are a spread of Cs–S bond distances ranging from 3.50–3.97 Å. B3+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There is one shorter (1.74 Å) and two longer (1.87 Å) B–S bond length. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to five equivalent Cs1+ and one B3+ atom. In the second S2- site, S2- is bonded in a distorted L-shaped geometry to four equivalent Cs1+ and two equivalent B3+ atoms.

Publication Date:
Other Number(s):
mp-1228848
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; CsBS2; B-Cs-S
OSTI Identifier:
1680618
DOI:
https://doi.org/10.17188/1680618

Citation Formats

The Materials Project. Materials Data on CsBS2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1680618.
The Materials Project. Materials Data on CsBS2 by Materials Project. United States. doi:https://doi.org/10.17188/1680618
The Materials Project. 2019. "Materials Data on CsBS2 by Materials Project". United States. doi:https://doi.org/10.17188/1680618. https://www.osti.gov/servlets/purl/1680618. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1680618,
title = {Materials Data on CsBS2 by Materials Project},
author = {The Materials Project},
abstractNote = {SBSCs crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Cs1+ is bonded in a 1-coordinate geometry to nine S2- atoms. There are a spread of Cs–S bond distances ranging from 3.50–3.97 Å. B3+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There is one shorter (1.74 Å) and two longer (1.87 Å) B–S bond length. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to five equivalent Cs1+ and one B3+ atom. In the second S2- site, S2- is bonded in a distorted L-shaped geometry to four equivalent Cs1+ and two equivalent B3+ atoms.},
doi = {10.17188/1680618},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}