Materials Data on BaLiAs by Materials Project

doi:10.17188/1187229

Title: Materials Data on BaLiAs by Materials Project

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Abstract

LiBaAs crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Li–As bond lengths are 2.63 Å. Ba2+ is bonded to six equivalent As3- atoms to form a mixture of distorted edge, face, and corner-sharing BaAs6 pentagonal pyramids. All Ba–As bond lengths are 3.50 Å. As3- is bonded in a distorted trigonal planar geometry to three equivalent Li1+ and six equivalent Ba2+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-10616

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; BaLiAs; As-Ba-Li

OSTI Identifier:: 1187229

DOI:: https://doi.org/10.17188/1187229

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                    The Materials Project. Materials Data on BaLiAs by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187229.

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                    The Materials Project. Materials Data on BaLiAs by Materials Project.  United States.  doi:https://doi.org/10.17188/1187229

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                    The Materials Project. 2020.  
"Materials Data on BaLiAs by Materials Project".  United States.  doi:https://doi.org/10.17188/1187229.  https://www.osti.gov/servlets/purl/1187229. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1187229,

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

  author       = {The Materials Project},

  abstractNote = {LiBaAs crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Li–As bond lengths are 2.63 Å. Ba2+ is bonded to six equivalent As3- atoms to form a mixture of distorted edge, face, and corner-sharing BaAs6 pentagonal pyramids. All Ba–As bond lengths are 3.50 Å. As3- is bonded in a distorted trigonal planar geometry to three equivalent Li1+ and six equivalent Ba2+ atoms.},

  doi          = {10.17188/1187229},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1187229

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