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Title: Materials Data on Rb2WSO4 by Materials Project

Abstract

Rb2WO4S crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of six hydrogen sulfide molecules and three Rb2WO4 sheets oriented in the (0, 0, 1) direction. In each Rb2WO4 sheet, there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to three equivalent O2- atoms. All Rb–O bond lengths are 2.93 Å. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.25 Å. W2+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All W–O bond lengths are 1.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one W2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1219664
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; Rb2WSO4; O-Rb-S-W
OSTI Identifier:
1740151
DOI:
https://doi.org/10.17188/1740151

Citation Formats

The Materials Project. Materials Data on Rb2WSO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740151.
The Materials Project. Materials Data on Rb2WSO4 by Materials Project. United States. doi:https://doi.org/10.17188/1740151
The Materials Project. 2020. "Materials Data on Rb2WSO4 by Materials Project". United States. doi:https://doi.org/10.17188/1740151. https://www.osti.gov/servlets/purl/1740151. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1740151,
title = {Materials Data on Rb2WSO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2WO4S crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of six hydrogen sulfide molecules and three Rb2WO4 sheets oriented in the (0, 0, 1) direction. In each Rb2WO4 sheet, there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to three equivalent O2- atoms. All Rb–O bond lengths are 2.93 Å. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.25 Å. W2+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All W–O bond lengths are 1.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one W2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ atom.},
doi = {10.17188/1740151},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}