Materials Data on CsBa3 by Materials Project

doi:10.17188/1732746

Title: Materials Data on CsBa3 by Materials Project

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Abstract

CsBa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs is bonded in a body-centered cubic geometry to fourteen Ba atoms. There are eight shorter (4.52 Å) and six longer (5.22 Å) Cs–Ba bond lengths. There are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a body-centered cubic geometry to four equivalent Cs and four equivalent Ba atoms. All Ba–Ba bond lengths are 4.52 Å. In the second Ba site, Ba is bonded in a distorted body-centered cubic geometry to six equivalent Cs and eight equivalent Ba atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1183948

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; CsBa3; Ba-Cs

OSTI Identifier:: 1732746

DOI:: https://doi.org/10.17188/1732746

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                    The Materials Project. Materials Data on CsBa3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732746.

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                    The Materials Project. Materials Data on CsBa3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732746

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                    The Materials Project. 2020.  
"Materials Data on CsBa3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732746.  https://www.osti.gov/servlets/purl/1732746. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1732746,

  title        = {Materials Data on CsBa3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsBa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs is bonded in a body-centered cubic geometry to fourteen Ba atoms. There are eight shorter (4.52 Å) and six longer (5.22 Å) Cs–Ba bond lengths. There are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a body-centered cubic geometry to four equivalent Cs and four equivalent Ba atoms. All Ba–Ba bond lengths are 4.52 Å. In the second Ba site, Ba is bonded in a distorted body-centered cubic geometry to six equivalent Cs and eight equivalent Ba atoms.},

  doi          = {10.17188/1732746},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1732746

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