Materials Data on CsNa3 by Materials Project

doi:10.17188/1733205

Title: Materials Data on CsNa3 by Materials Project

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Abstract

CsNa3 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 Na atoms. There are eight shorter (4.10 Å) and six longer (4.73 Å) Cs–Na bond lengths. There are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Cs and four equivalent Na atoms to form a mixture of face, edge, and corner-sharing NaCs4Na4 tetrahedra. All Na–Na bond lengths are 4.10 Å. In the second Na site, Na is bonded in a 6-coordinate geometry to six equivalent Cs and eight equivalent Na atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1185541

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; CsNa3; Cs-Na

OSTI Identifier:: 1733205

DOI:: https://doi.org/10.17188/1733205

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                    The Materials Project. Materials Data on CsNa3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1733205.

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                    The Materials Project. Materials Data on CsNa3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1733205

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                    The Materials Project. 2020.  
"Materials Data on CsNa3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1733205.  https://www.osti.gov/servlets/purl/1733205. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1733205,

  title        = {Materials Data on CsNa3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsNa3 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 Na atoms. There are eight shorter (4.10 Å) and six longer (4.73 Å) Cs–Na bond lengths. There are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Cs and four equivalent Na atoms to form a mixture of face, edge, and corner-sharing NaCs4Na4 tetrahedra. All Na–Na bond lengths are 4.10 Å. In the second Na site, Na is bonded in a 6-coordinate geometry to six equivalent Cs and eight equivalent Na atoms.},

  doi          = {10.17188/1733205},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1733205

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