Materials Data on Na3Bi by Materials Project

doi:10.17188/1202016

Title: Materials Data on Na3Bi by Materials Project

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Abstract

Na3Bi is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 1-coordinate geometry to four equivalent Bi atoms. There are one shorter (3.25 Å) and three longer (3.56 Å) Na–Bi bond lengths. In the second Na site, Na is bonded in a trigonal planar geometry to three equivalent Bi atoms. All Na–Bi bond lengths are 3.17 Å. Bi is bonded in a 5-coordinate geometry to eleven Na atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-27838

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:: 1202016

DOI:: https://doi.org/10.17188/1202016

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                    The Materials Project. Materials Data on Na3Bi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202016.

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                    The Materials Project. Materials Data on Na3Bi by Materials Project.  United States.  doi:https://doi.org/10.17188/1202016

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                    The Materials Project. 2020.  
"Materials Data on Na3Bi by Materials Project".  United States.  doi:https://doi.org/10.17188/1202016.  https://www.osti.gov/servlets/purl/1202016. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1202016,

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

  author       = {The Materials Project},

  abstractNote = {Na3Bi is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 1-coordinate geometry to four equivalent Bi atoms. There are one shorter (3.25 Å) and three longer (3.56 Å) Na–Bi bond lengths. In the second Na site, Na is bonded in a trigonal planar geometry to three equivalent Bi atoms. All Na–Bi bond lengths are 3.17 Å. Bi is bonded in a 5-coordinate geometry to eleven Na atoms.},

  doi          = {10.17188/1202016},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1202016

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