Materials Data on LiB11 by Materials Project

doi:10.17188/1715307

Title: Materials Data on LiB11 by Materials Project

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Abstract

LiB11 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li is bonded in a 12-coordinate geometry to twelve equivalent B atoms. All Li–B bond lengths are 2.52 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to seven B atoms. There is six shorter (1.84 Å) and one longer (1.90 Å) B–B bond length. In the second B site, B is bonded in a tetrahedral geometry to four equivalent B atoms. In the third B site, B is bonded in a 8-coordinate geometry to two equivalent Li and six B atoms. All B–B bond lengths are 1.77 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1103613

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; LiB11; B-Li

OSTI Identifier:: 1715307

DOI:: https://doi.org/10.17188/1715307

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                    The Materials Project. Materials Data on LiB11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1715307.

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                    The Materials Project. Materials Data on LiB11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1715307

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                    The Materials Project. 2020.  
"Materials Data on LiB11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1715307.  https://www.osti.gov/servlets/purl/1715307. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1715307,

  title        = {Materials Data on LiB11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiB11 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li is bonded in a 12-coordinate geometry to twelve equivalent B atoms. All Li–B bond lengths are 2.52 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to seven B atoms. There is six shorter (1.84 Å) and one longer (1.90 Å) B–B bond length. In the second B site, B is bonded in a tetrahedral geometry to four equivalent B atoms. In the third B site, B is bonded in a 8-coordinate geometry to two equivalent Li and six B atoms. All B–B bond lengths are 1.77 Å.},

  doi          = {10.17188/1715307},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1715307

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