Materials Data on Li3As by Materials Project

doi:10.17188/1290681

Title: Materials Data on Li3As by Materials Project

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Abstract

Li3As is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Li–As bond lengths are 2.53 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four equivalent As3- atoms. There are one shorter (2.62 Å) and three longer (2.84 Å) Li–As bond lengths. As3- is bonded in a 5-coordinate geometry to eleven Li1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-757

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; Li3As; As-Li

OSTI Identifier:: 1290681

DOI:: https://doi.org/10.17188/1290681

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                    The Materials Project. Materials Data on Li3As by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290681.

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                    The Materials Project. Materials Data on Li3As by Materials Project.  United States.  doi:https://doi.org/10.17188/1290681

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                    The Materials Project. 2020.  
"Materials Data on Li3As by Materials Project".  United States.  doi:https://doi.org/10.17188/1290681.  https://www.osti.gov/servlets/purl/1290681. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1290681,

  title        = {Materials Data on Li3As by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li3As is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Li–As bond lengths are 2.53 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four equivalent As3- atoms. There are one shorter (2.62 Å) and three longer (2.84 Å) Li–As bond lengths. As3- is bonded in a 5-coordinate geometry to eleven Li1+ atoms.},

  doi          = {10.17188/1290681},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1290681

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