Materials Data on Li3Bi by Materials Project

doi:10.17188/1199341

Title: Materials Data on Li3Bi by Materials Project

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Abstract

Li3Bi is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Li and four equivalent Bi atoms to form a mixture of distorted edge, corner, and face-sharing LiLi4Bi4 tetrahedra. All Li–Li bond lengths are 2.92 Å. All Li–Bi bond lengths are 2.92 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Bi atoms. All Li–Bi bond lengths are 3.37 Å. Bi is bonded in a body-centered cubic geometry to fourteen Li atoms.

Publication Date:: 2020-07-16

Other Number(s):: mp-23222

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; Bi-Li; Li3Bi; crystal structure

OSTI Identifier:: 1199341

DOI:: https://doi.org/10.17188/1199341

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                    Materials Data on Li3Bi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199341.

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                    Materials Data on Li3Bi by Materials Project.  United States.  doi:https://doi.org/10.17188/1199341

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                    2020.  
"Materials Data on Li3Bi by Materials Project".  United States.  doi:https://doi.org/10.17188/1199341.  https://www.osti.gov/servlets/purl/1199341. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1199341,

  title        = {Materials Data on Li3Bi by Materials Project},

  
  abstractNote = {Li3Bi is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Li and four equivalent Bi atoms to form a mixture of distorted edge, corner, and face-sharing LiLi4Bi4 tetrahedra. All Li–Li bond lengths are 2.92 Å. All Li–Bi bond lengths are 2.92 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Bi atoms. All Li–Bi bond lengths are 3.37 Å. Bi is bonded in a body-centered cubic geometry to fourteen Li atoms.},

  doi          = {10.17188/1199341},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199341

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