Materials Data on Rb3BS3 by Materials Project

doi:10.17188/1204410

Title: Materials Data on Rb3BS3 by Materials Project

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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:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

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

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                    The Materials Project. Materials Data on Rb3BS3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204410.

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                    The Materials Project. Materials Data on Rb3BS3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204410

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                    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

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@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         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204410

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