Materials Data on NaRe3 by Materials Project

doi:10.17188/1315467

Title: Materials Data on NaRe3 by Materials Project

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Abstract

NaRe3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to fourteen Re atoms. There are eight shorter (2.71 Å) and six longer (3.13 Å) Na–Re bond lengths. There are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent Na and four equivalent Re atoms to form a mixture of distorted edge, face, and corner-sharing ReNa4Re4 tetrahedra. All Re–Re bond lengths are 2.71 Å. In the second Re site, Re is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Re atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 21 00:00:00 EDT 2020

Other Number(s):: mp-976943

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; NaRe3; Na-Re

OSTI Identifier:: 1315467

DOI:: https://doi.org/10.17188/1315467

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                    The Materials Project. Materials Data on NaRe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1315467.

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                    The Materials Project. Materials Data on NaRe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1315467

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                    The Materials Project. 2020.  
"Materials Data on NaRe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1315467.  https://www.osti.gov/servlets/purl/1315467. Pub date:Tue Jul 21 00:00:00 EDT 2020

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@article{osti_1315467,

  title        = {Materials Data on NaRe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaRe3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to fourteen Re atoms. There are eight shorter (2.71 Å) and six longer (3.13 Å) Na–Re bond lengths. There are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent Na and four equivalent Re atoms to form a mixture of distorted edge, face, and corner-sharing ReNa4Re4 tetrahedra. All Re–Re bond lengths are 2.71 Å. In the second Re site, Re is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Re atoms.},

  doi          = {10.17188/1315467},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 21 00:00:00 EDT 2020},

  month        = {Tue Jul 21 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1315467

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