Materials Data on Na3Co by Materials Project

doi:10.17188/1314962

Title: Materials Data on Na3Co by Materials Project

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Abstract

Na3Co is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Na and four equivalent Co atoms to form a mixture of distorted corner, edge, and face-sharing NaNa4Co4 tetrahedra. All Na–Na bond lengths are 3.17 Å. All Na–Co bond lengths are 3.17 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to eight equivalent Na and six equivalent Co atoms. All Na–Co bond lengths are 3.67 Å. Co is bonded in a body-centered cubic geometry to fourteen Na atoms.

Publication Date:: Thu Jul 23 04:00:00 UTC 2020

Other Number(s):: mp-1006112

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Co-Na; Na3Co; crystal structure

OSTI Identifier:: 1314962

DOI:: https://doi.org/10.17188/1314962

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                    Materials Data on Na3Co by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314962.

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                    Materials Data on Na3Co by Materials Project.  United States.  doi:https://doi.org/10.17188/1314962

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                    2020.  
"Materials Data on Na3Co by Materials Project".  United States.  doi:https://doi.org/10.17188/1314962.  https://www.osti.gov/servlets/purl/1314962. Pub date:Thu Jul 23 04:00:00 UTC 2020

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@article{osti_1314962,

  title        = {Materials Data on Na3Co by Materials Project},

  
  abstractNote = {Na3Co is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Na and four equivalent Co atoms to form a mixture of distorted corner, edge, and face-sharing NaNa4Co4 tetrahedra. All Na–Na bond lengths are 3.17 Å. All Na–Co bond lengths are 3.17 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to eight equivalent Na and six equivalent Co atoms. All Na–Co bond lengths are 3.67 Å. Co is bonded in a body-centered cubic geometry to fourteen Na atoms.},

  doi          = {10.17188/1314962},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 04:00:00 UTC 2020},

  month        = {Thu Jul 23 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1314962

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