Materials Data on LiAs3 by Materials Project

doi:10.17188/1653042

Title: Materials Data on LiAs3 by Materials Project

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Abstract

LiAs3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li1+ is bonded in a distorted trigonal planar geometry to eleven As+0.33- atoms. There are a spread of Li–As bond distances ranging from 2.43–3.13 Å. There are two inequivalent As+0.33- sites. In the first As+0.33- site, As+0.33- is bonded in a 10-coordinate geometry to four equivalent Li1+ and six As+0.33- atoms. There are three shorter (2.80 Å) and three longer (2.99 Å) As–As bond lengths. In the second As+0.33- site, As+0.33- is bonded in a trigonal planar geometry to three equivalent Li1+ and six equivalent As+0.33- atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1206724

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; LiAs3; As-Li

OSTI Identifier:: 1653042

DOI:: https://doi.org/10.17188/1653042

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                    The Materials Project. Materials Data on LiAs3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1653042.

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                    The Materials Project. Materials Data on LiAs3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1653042

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                    The Materials Project. 2020.  
"Materials Data on LiAs3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1653042.  https://www.osti.gov/servlets/purl/1653042. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1653042,

  title        = {Materials Data on LiAs3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiAs3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li1+ is bonded in a distorted trigonal planar geometry to eleven As+0.33- atoms. There are a spread of Li–As bond distances ranging from 2.43–3.13 Å. There are two inequivalent As+0.33- sites. In the first As+0.33- site, As+0.33- is bonded in a 10-coordinate geometry to four equivalent Li1+ and six As+0.33- atoms. There are three shorter (2.80 Å) and three longer (2.99 Å) As–As bond lengths. In the second As+0.33- site, As+0.33- is bonded in a trigonal planar geometry to three equivalent Li1+ and six equivalent As+0.33- atoms.},

  doi          = {10.17188/1653042},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1653042

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