Materials Data on LiAlB14 by Materials Project

doi:10.17188/1307964

Title: Materials Data on LiAlB14 by Materials Project

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Abstract

AlLiB14 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Li is bonded in a 6-coordinate geometry to sixteen B atoms. There are a spread of Li–B bond distances ranging from 2.43–2.79 Å. Al is bonded to twelve B atoms to form distorted face-sharing AlB12 cuboctahedra. There are a spread of Al–B bond distances ranging from 2.08–2.43 Å. There are five inequivalent B sites. In the first B site, B is bonded in a 8-coordinate geometry to two equivalent Li and six B atoms. There are a spread of B–B bond distances ranging from 1.75–1.86 Å. In the second B site, B is bonded in a 7-coordinate geometry to one Li, two equivalent Al, and four B atoms. There are a spread of B–B bond distances ranging from 1.75–2.08 Å. In the third B site, B is bonded in a 8-coordinate geometry to one Li, one Al, and six B atoms. There are a spread of B–B bond distances ranging from 1.78–1.82 Å. In the fourth B site, B is bonded in a 8-coordinate geometry to two equivalent Al and six B atoms. The B–B bond length is 1.84 Å. In the fifthmore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-8204

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; LiAlB14; Al-B-Li

OSTI Identifier:: 1307964

DOI:: https://doi.org/10.17188/1307964

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                    The Materials Project. Materials Data on LiAlB14 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1307964.

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                    The Materials Project. Materials Data on LiAlB14 by Materials Project.  United States.  doi:https://doi.org/10.17188/1307964

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                    The Materials Project. 2020.  
"Materials Data on LiAlB14 by Materials Project".  United States.  doi:https://doi.org/10.17188/1307964.  https://www.osti.gov/servlets/purl/1307964. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1307964,

  title        = {Materials Data on LiAlB14 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AlLiB14 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Li is bonded in a 6-coordinate geometry to sixteen B atoms. There are a spread of Li–B bond distances ranging from 2.43–2.79 Å. Al is bonded to twelve B atoms to form distorted face-sharing AlB12 cuboctahedra. There are a spread of Al–B bond distances ranging from 2.08–2.43 Å. There are five inequivalent B sites. In the first B site, B is bonded in a 8-coordinate geometry to two equivalent Li and six B atoms. There are a spread of B–B bond distances ranging from 1.75–1.86 Å. In the second B site, B is bonded in a 7-coordinate geometry to one Li, two equivalent Al, and four B atoms. There are a spread of B–B bond distances ranging from 1.75–2.08 Å. In the third B site, B is bonded in a 8-coordinate geometry to one Li, one Al, and six B atoms. There are a spread of B–B bond distances ranging from 1.78–1.82 Å. In the fourth B site, B is bonded in a 8-coordinate geometry to two equivalent Al and six B atoms. The B–B bond length is 1.84 Å. In the fifth B site, B is bonded in a 6-coordinate geometry to one Li and six B atoms. The B–B bond length is 1.73 Å.},

  doi          = {10.17188/1307964},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1307964

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