Materials Data on Cs3BAs2 by Materials Project

doi:10.17188/1276515

Title: Materials Data on Cs3BAs2 by Materials Project

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Abstract

Cs3BAs2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two Cs3BAs2 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to two equivalent As3- atoms. There are one shorter (3.70 Å) and one longer (4.00 Å) Cs–As bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four equivalent As3- atoms. There are two shorter (3.84 Å) and two longer (3.86 Å) Cs–As bond lengths. B3+ is bonded in a linear geometry to two equivalent As3- atoms. Both B–As bond lengths are 1.89 Å. As3- is bonded in a 1-coordinate geometry to four Cs1+ and one B3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-573658

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; Cs3BAs2; As-B-Cs

OSTI Identifier:: 1276515

DOI:: https://doi.org/10.17188/1276515

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                    The Materials Project. Materials Data on Cs3BAs2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276515.

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                    The Materials Project. Materials Data on Cs3BAs2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276515

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                    The Materials Project. 2020.  
"Materials Data on Cs3BAs2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276515.  https://www.osti.gov/servlets/purl/1276515. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1276515,

  title        = {Materials Data on Cs3BAs2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs3BAs2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two Cs3BAs2 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to two equivalent As3- atoms. There are one shorter (3.70 Å) and one longer (4.00 Å) Cs–As bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four equivalent As3- atoms. There are two shorter (3.84 Å) and two longer (3.86 Å) Cs–As bond lengths. B3+ is bonded in a linear geometry to two equivalent As3- atoms. Both B–As bond lengths are 1.89 Å. As3- is bonded in a 1-coordinate geometry to four Cs1+ and one B3+ atom.},

  doi          = {10.17188/1276515},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1276515

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