Materials Data on CsBS2 by Materials Project

doi:10.17188/1680618

Title: Materials Data on CsBS2 by Materials Project

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Abstract

SBSCs crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Cs1+ is bonded in a 1-coordinate geometry to nine S2- atoms. There are a spread of Cs–S bond distances ranging from 3.50–3.97 Å. B3+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There is one shorter (1.74 Å) and two longer (1.87 Å) B–S bond length. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to five equivalent Cs1+ and one B3+ atom. In the second S2- site, S2- is bonded in a distorted L-shaped geometry to four equivalent Cs1+ and two equivalent B3+ atoms.

Authors:: The Materials Project

Publication Date:: Sun Jan 13 00:00:00 EST 2019

Other Number(s):: mp-1228848

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; CsBS2; B-Cs-S

OSTI Identifier:: 1680618

DOI:: https://doi.org/10.17188/1680618

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                    The Materials Project. Materials Data on CsBS2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1680618.

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                    The Materials Project. Materials Data on CsBS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680618

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                    The Materials Project. 2019.  
"Materials Data on CsBS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680618.  https://www.osti.gov/servlets/purl/1680618. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1680618,

  title        = {Materials Data on CsBS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SBSCs crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Cs1+ is bonded in a 1-coordinate geometry to nine S2- atoms. There are a spread of Cs–S bond distances ranging from 3.50–3.97 Å. B3+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There is one shorter (1.74 Å) and two longer (1.87 Å) B–S bond length. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to five equivalent Cs1+ and one B3+ atom. In the second S2- site, S2- is bonded in a distorted L-shaped geometry to four equivalent Cs1+ and two equivalent B3+ atoms.},

  doi          = {10.17188/1680618},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun Jan 13 00:00:00 EST 2019},

  month        = {Sun Jan 13 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1680618

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