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Title: Materials Data on Rb3BS3 by Materials Project

Abstract

Rb3BS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Rb–S bond distances ranging from 3.32–3.61 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Rb–S bond distances ranging from 3.34–3.51 Å. In the third Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to four S2- atoms. There are a spread of Rb–S bond distances ranging from 3.33–3.43 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. All B–S bond lengths are 1.84 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to five Rb1+ and one B3+ atom. In the second S2- site, S2- is bonded in a distorted single-bond geometry to six Rb1+ and one B3+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to five Rb1+ and one B3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-29977
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rb3BS3; B-Rb-S
OSTI Identifier:
1204410
DOI:
https://doi.org/10.17188/1204410

Citation Formats

The Materials Project. Materials Data on Rb3BS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204410.
The Materials Project. Materials Data on Rb3BS3 by Materials Project. United States. doi:https://doi.org/10.17188/1204410
The Materials Project. 2020. "Materials Data on Rb3BS3 by Materials Project". United States. doi:https://doi.org/10.17188/1204410. https://www.osti.gov/servlets/purl/1204410. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1204410,
title = {Materials Data on Rb3BS3 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3BS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Rb–S bond distances ranging from 3.32–3.61 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Rb–S bond distances ranging from 3.34–3.51 Å. In the third Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to four S2- atoms. There are a spread of Rb–S bond distances ranging from 3.33–3.43 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. All B–S bond lengths are 1.84 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to five Rb1+ and one B3+ atom. In the second S2- site, S2- is bonded in a distorted single-bond geometry to six Rb1+ and one B3+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to five Rb1+ and one B3+ atom.},
doi = {10.17188/1204410},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}