Materials Data on CsNaF3 by Materials Project

doi:10.17188/1317367

Title: Materials Data on CsNaF3 by Materials Project

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Abstract

CsNaF3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to nine F atoms. There are a spread of Cs–F bond distances ranging from 2.96–3.35 Å. Na is bonded in a 6-coordinate geometry to six F atoms. There are a spread of Na–F bond distances ranging from 2.23–2.43 Å. There are three inequivalent F sites. In the first F site, F is bonded in a 2-coordinate geometry to three equivalent Cs and two equivalent Na atoms. In the second F site, F is bonded in a 5-coordinate geometry to two equivalent Cs and three equivalent Na atoms. In the third F site, F is bonded in a 5-coordinate geometry to four equivalent Cs and one Na atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-998609

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; CsNaF3; Cs-F-Na

OSTI Identifier:: 1317367

DOI:: https://doi.org/10.17188/1317367

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                    The Materials Project. Materials Data on CsNaF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317367.

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                    The Materials Project. Materials Data on CsNaF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317367

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                    The Materials Project. 2020.  
"Materials Data on CsNaF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317367.  https://www.osti.gov/servlets/purl/1317367. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1317367,

  title        = {Materials Data on CsNaF3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsNaF3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to nine F atoms. There are a spread of Cs–F bond distances ranging from 2.96–3.35 Å. Na is bonded in a 6-coordinate geometry to six F atoms. There are a spread of Na–F bond distances ranging from 2.23–2.43 Å. There are three inequivalent F sites. In the first F site, F is bonded in a 2-coordinate geometry to three equivalent Cs and two equivalent Na atoms. In the second F site, F is bonded in a 5-coordinate geometry to two equivalent Cs and three equivalent Na atoms. In the third F site, F is bonded in a 5-coordinate geometry to four equivalent Cs and one Na atom.},

  doi          = {10.17188/1317367},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1317367

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