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DOE OSTI · 1653042

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.

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36 MATERIALS SCIENCEAs-Licrystal structureLiAs3

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2020-05-03. Materials Data on LiAs3 by Materials Project. https://doi.org/10.17188/1653042

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