Materials Data on Na3Bi by Materials Project

doi:10.17188/1315529

Title: Materials Data on Na3Bi by Materials Project

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Abstract

Na3Bi 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 Bi atoms to form a mixture of distorted edge, face, and corner-sharing NaNa4Bi4 tetrahedra. All Na–Na bond lengths are 3.34 Å. All Na–Bi bond lengths are 3.34 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to eight equivalent Na and six equivalent Bi atoms. All Na–Bi bond lengths are 3.85 Å. Bi is bonded in a body-centered cubic geometry to fourteen Na atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-977189

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; Na3Bi; Bi-Na

OSTI Identifier:: 1315529

DOI:: https://doi.org/10.17188/1315529

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                    The Materials Project. Materials Data on Na3Bi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1315529.

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                    The Materials Project. Materials Data on Na3Bi by Materials Project.  United States.  doi:https://doi.org/10.17188/1315529

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                    The Materials Project. 2020.  
"Materials Data on Na3Bi by Materials Project".  United States.  doi:https://doi.org/10.17188/1315529.  https://www.osti.gov/servlets/purl/1315529. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1315529,

  title        = {Materials Data on Na3Bi by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3Bi 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 Bi atoms to form a mixture of distorted edge, face, and corner-sharing NaNa4Bi4 tetrahedra. All Na–Na bond lengths are 3.34 Å. All Na–Bi bond lengths are 3.34 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to eight equivalent Na and six equivalent Bi atoms. All Na–Bi bond lengths are 3.85 Å. Bi is bonded in a body-centered cubic geometry to fourteen Na atoms.},

  doi          = {10.17188/1315529},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1315529

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