Materials Data on BPS4 by Materials Project

doi:10.17188/1201917

Title: Materials Data on BPS4 by Materials Project

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Abstract

BPS4 is Silicon Disuphide-derived structured and crystallizes in the orthorhombic I222 space group. The structure is one-dimensional and consists of two BPS4 ribbons oriented in the (1, 0, 0) direction. B3+ is bonded to four equivalent S2- atoms to form BS4 tetrahedra that share edges with two equivalent PS4 tetrahedra. All B–S bond lengths are 1.94 Å. P5+ is bonded to four equivalent S2- atoms to form distorted PS4 tetrahedra that share edges with two equivalent BS4 tetrahedra. All P–S bond lengths are 2.06 Å. S2- is bonded in an L-shaped geometry to one B3+ and one P5+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-27724

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; BPS4; B-P-S

OSTI Identifier:: 1201917

DOI:: https://doi.org/10.17188/1201917

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                    The Materials Project. Materials Data on BPS4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201917.

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                    The Materials Project. Materials Data on BPS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201917

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                    The Materials Project. 2020.  
"Materials Data on BPS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201917.  https://www.osti.gov/servlets/purl/1201917. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1201917,

  title        = {Materials Data on BPS4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BPS4 is Silicon Disuphide-derived structured and crystallizes in the orthorhombic I222 space group. The structure is one-dimensional and consists of two BPS4 ribbons oriented in the (1, 0, 0) direction. B3+ is bonded to four equivalent S2- atoms to form BS4 tetrahedra that share edges with two equivalent PS4 tetrahedra. All B–S bond lengths are 1.94 Å. P5+ is bonded to four equivalent S2- atoms to form distorted PS4 tetrahedra that share edges with two equivalent BS4 tetrahedra. All P–S bond lengths are 2.06 Å. S2- is bonded in an L-shaped geometry to one B3+ and one P5+ atom.},

  doi          = {10.17188/1201917},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1201917

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