Materials Data on Li3Nb by Materials Project

doi:10.17188/1752144

Title: Materials Data on Li3Nb by Materials Project

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Abstract

Li3Nb 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 Nb atoms to form a mixture of distorted edge, corner, and face-sharing LiLi4Nb4 tetrahedra. All Li–Li bond lengths are 2.75 Å. All Li–Nb bond lengths are 2.75 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Nb atoms. All Li–Nb bond lengths are 3.18 Å. Nb is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-1185184

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; Li-Nb; Li3Nb; crystal structure

OSTI Identifier:: 1752144

DOI:: https://doi.org/10.17188/1752144

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                    Materials Data on Li3Nb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1752144.

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                    Materials Data on Li3Nb by Materials Project.  United States.  doi:https://doi.org/10.17188/1752144

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                    2020.  
"Materials Data on Li3Nb by Materials Project".  United States.  doi:https://doi.org/10.17188/1752144.  https://www.osti.gov/servlets/purl/1752144. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1752144,

  title        = {Materials Data on Li3Nb by Materials Project},

  
  abstractNote = {Li3Nb 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 Nb atoms to form a mixture of distorted edge, corner, and face-sharing LiLi4Nb4 tetrahedra. All Li–Li bond lengths are 2.75 Å. All Li–Nb bond lengths are 2.75 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Nb atoms. All Li–Nb bond lengths are 3.18 Å. Nb is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.},

  doi          = {10.17188/1752144},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1752144

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