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DOE OSTI · 1710530

Materials Data on LiH2N by Materials Project

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Abstract

LiNH2 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two LiNH2 sheets oriented in the (0, 1, 0) direction. Li1+ is bonded in a 6-coordinate geometry to three equivalent N3- and three H1+ atoms. There are two shorter (2.07 Å) and one longer (2.12 Å) Li–N bond lengths. There are a spread of Li–H bond distances ranging from 1.91–2.29 Å. N3- is bonded in a distorted water-like geometry to three equivalent Li1+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Li1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to two equivalent Li1+ and one N3- atom.

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36 MATERIALS SCIENCEcrystal structureH-Li-NLiH2N

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2020-05-03. Materials Data on LiH2N by Materials Project. https://doi.org/10.17188/1710530

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