Materials Data on Li3Pb by Materials Project

doi:10.17188/1205121

Title: Materials Data on Li3Pb by Materials Project

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Abstract

Li3Pb is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm 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 Pb atoms to form a mixture of distorted edge, face, and corner-sharing LiLi4Pb4 tetrahedra. All Li–Li bond lengths are 2.90 Å. All Li–Pb bond lengths are 2.90 Å. In the second Li site, Li is bonded in a 12-coordinate geometry to eight equivalent Li and six equivalent Pb atoms. There are four shorter (3.33 Å) and two longer (3.38 Å) Li–Pb bond lengths. Pb is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-30760

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; Li3Pb; Li-Pb

OSTI Identifier:: 1205121

DOI:: https://doi.org/10.17188/1205121

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                    The Materials Project. Materials Data on Li3Pb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205121.

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                    The Materials Project. Materials Data on Li3Pb by Materials Project.  United States.  doi:https://doi.org/10.17188/1205121

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                    The Materials Project. 2020.  
"Materials Data on Li3Pb by Materials Project".  United States.  doi:https://doi.org/10.17188/1205121.  https://www.osti.gov/servlets/purl/1205121. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1205121,

  title        = {Materials Data on Li3Pb by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li3Pb is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm 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 Pb atoms to form a mixture of distorted edge, face, and corner-sharing LiLi4Pb4 tetrahedra. All Li–Li bond lengths are 2.90 Å. All Li–Pb bond lengths are 2.90 Å. In the second Li site, Li is bonded in a 12-coordinate geometry to eight equivalent Li and six equivalent Pb atoms. There are four shorter (3.33 Å) and two longer (3.38 Å) Li–Pb bond lengths. Pb is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.},

  doi          = {10.17188/1205121},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205121

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