Materials Data on LiB11 by Materials Project

doi:10.17188/1740457

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 to twelve equivalent B atoms to form distorted LiB12 cuboctahedra that share corners with twelve equivalent LiB12 cuboctahedra and faces with four equivalent BB10 tetrahedra. All Li–B bond lengths are 2.49 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 are a spread of B–B bond distances ranging from 1.77–2.04 Å. In the second B site, B is bonded in a 8-coordinate geometry to two equivalent Li and seven B atoms. There are four shorter (1.94 Å) and one longer (2.11 Å) B–B bond lengths. In the third B site, B is bonded to ten B atoms to form distorted BB10 tetrahedra that share faces with four equivalent LiB12 cuboctahedra.

Publication Date:: 2020-05-03

Other Number(s):: mp-1103394

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; B-Li; LiB11; crystal structure

OSTI Identifier:: 1740457

DOI:: https://doi.org/10.17188/1740457

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                    Materials Data on LiB11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740457.

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                    Materials Data on LiB11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740457

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                    2020.  
"Materials Data on LiB11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1740457.  https://www.osti.gov/servlets/purl/1740457. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1740457,

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

  
  abstractNote = {LiB11 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li is bonded to twelve equivalent B atoms to form distorted LiB12 cuboctahedra that share corners with twelve equivalent LiB12 cuboctahedra and faces with four equivalent BB10 tetrahedra. All Li–B bond lengths are 2.49 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 are a spread of B–B bond distances ranging from 1.77–2.04 Å. In the second B site, B is bonded in a 8-coordinate geometry to two equivalent Li and seven B atoms. There are four shorter (1.94 Å) and one longer (2.11 Å) B–B bond lengths. In the third B site, B is bonded to ten B atoms to form distorted BB10 tetrahedra that share faces with four equivalent LiB12 cuboctahedra.},

  doi          = {10.17188/1740457},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1740457

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