Materials Data on RbBS3 by Materials Project

doi:10.17188/1312937

Title: Materials Data on RbBS3 by Materials Project

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Abstract

RbBS3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four rubidium molecules and two BS3 ribbons oriented in the (1, 0, 0) direction. In each BS3 ribbon, B3- is bonded to four S+0.67+ atoms to form corner-sharing BS4 tetrahedra. There are a spread of B–S bond distances ranging from 1.91–1.96 Å. There are three inequivalent S+0.67+ sites. In the first S+0.67+ site, S+0.67+ is bonded in a single-bond geometry to one B3- atom. In the second S+0.67+ site, S+0.67+ is bonded in a water-like geometry to two equivalent B3- atoms. In the third S+0.67+ site, S+0.67+ is bonded in a single-bond geometry to one B3- atom.

Publication Date:: 2020-07-14

Other Number(s):: mp-9047

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; B-Rb-S; RbBS3; crystal structure

OSTI Identifier:: 1312937

DOI:: https://doi.org/10.17188/1312937

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                    Materials Data on RbBS3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1312937.

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                    Materials Data on RbBS3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1312937

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                    2020.  
"Materials Data on RbBS3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1312937.  https://www.osti.gov/servlets/purl/1312937. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1312937,

  title        = {Materials Data on RbBS3 by Materials Project},

  
  abstractNote = {RbBS3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four rubidium molecules and two BS3 ribbons oriented in the (1, 0, 0) direction. In each BS3 ribbon, B3- is bonded to four S+0.67+ atoms to form corner-sharing BS4 tetrahedra. There are a spread of B–S bond distances ranging from 1.91–1.96 Å. There are three inequivalent S+0.67+ sites. In the first S+0.67+ site, S+0.67+ is bonded in a single-bond geometry to one B3- atom. In the second S+0.67+ site, S+0.67+ is bonded in a water-like geometry to two equivalent B3- atoms. In the third S+0.67+ site, S+0.67+ is bonded in a single-bond geometry to one B3- atom.},

  doi          = {10.17188/1312937},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1312937

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