Materials Data on Rb2WSO4 by Materials Project

doi:10.17188/1740151

Title: Materials Data on Rb2WSO4 by Materials Project

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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:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

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

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                    The Materials Project. Materials Data on Rb2WSO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740151.

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                    The Materials Project. Materials Data on Rb2WSO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740151

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                    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

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@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         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1740151

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