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DOE OSTI · 1355430

Materials Data on LiP3 by Materials Project

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Abstract

LiP3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li1+ is bonded in a 11-coordinate geometry to eleven P+0.33- atoms. There are a spread of Li–P bond distances ranging from 2.44–2.87 Å. There are two inequivalent P+0.33- sites. In the first P+0.33- site, P+0.33- is bonded in a 4-coordinate geometry to four equivalent Li1+ and four P+0.33- atoms. There are one shorter (2.30 Å) and three longer (2.70 Å) P–P bond lengths. In the second P+0.33- site, P+0.33- is bonded in a trigonal planar geometry to three equivalent Li1+ and six equivalent P+0.33- atoms.

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36 MATERIALS SCIENCEcrystal structureLi-PLiP3

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2020-05-02. Materials Data on LiP3 by Materials Project. https://doi.org/10.17188/1355430

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