Materials Data on BS2 by Materials Project

doi:10.17188/1264660

Title: Materials Data on BS2 by Materials Project

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Abstract

BS2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two octaboron hexadecasulfide molecules. there are four inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three S+1.50- atoms. There are a spread of B–S bond distances ranging from 1.80–1.82 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three S+1.50- atoms. There are a spread of B–S bond distances ranging from 1.80–1.82 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three S+1.50- atoms. There are a spread of B–S bond distances ranging from 1.80–1.82 Å. In the fourth B3+ site, B3+ is bonded in a trigonal planar geometry to three S+1.50- atoms. There are a spread of B–S bond distances ranging from 1.80–1.82 Å. There are eight inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a distorted single-bond geometry to one B3+ atom. In the second S+1.50- site, S+1.50- is bonded in a distorted single-bond geometry to one B3+ atom. In the third S+1.50- site, S+1.50- is bonded in a water-like geometry to two B3+ atoms. In the fourthmore »« less

Publication Date:: 2020-04-29

Other Number(s):: mp-540668

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-S; BS2; crystal structure

OSTI Identifier:: 1264660

DOI:: https://doi.org/10.17188/1264660

Citation Formats


                    Materials Data on BS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1264660.

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                    Materials Data on BS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1264660

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                    2020.  
"Materials Data on BS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1264660.  https://www.osti.gov/servlets/purl/1264660. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1264660,

  title        = {Materials Data on BS2 by Materials Project},

  
  abstractNote = {BS2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two octaboron hexadecasulfide molecules. there are four inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three S+1.50- atoms. There are a spread of B–S bond distances ranging from 1.80–1.82 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three S+1.50- atoms. There are a spread of B–S bond distances ranging from 1.80–1.82 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three S+1.50- atoms. There are a spread of B–S bond distances ranging from 1.80–1.82 Å. In the fourth B3+ site, B3+ is bonded in a trigonal planar geometry to three S+1.50- atoms. There are a spread of B–S bond distances ranging from 1.80–1.82 Å. There are eight inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a distorted single-bond geometry to one B3+ atom. In the second S+1.50- site, S+1.50- is bonded in a distorted single-bond geometry to one B3+ atom. In the third S+1.50- site, S+1.50- is bonded in a water-like geometry to two B3+ atoms. In the fourth S+1.50- site, S+1.50- is bonded in a bent 120 degrees geometry to two B3+ atoms. In the fifth S+1.50- site, S+1.50- is bonded in a distorted single-bond geometry to one B3+ atom. In the sixth S+1.50- site, S+1.50- is bonded in a distorted single-bond geometry to one B3+ atom. In the seventh S+1.50- site, S+1.50- is bonded in a water-like geometry to two B3+ atoms. In the eighth S+1.50- site, S+1.50- is bonded in a bent 120 degrees geometry to two B3+ atoms.},

  doi          = {10.17188/1264660},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1264660

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