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DOE OSTI · 1739082

Materials Data on Li3InN2 by Materials Project

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Abstract

Li3InN2 crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Li–N bond distances ranging from 2.07–2.49 Å. In3+ is bonded to four N3- atoms to form corner-sharing InN4 tetrahedra. There are one shorter (2.19 Å) and three longer (2.21 Å) In–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a body-centered cubic geometry to six equivalent Li1+ and two equivalent In3+ atoms. In the second N3- site, N3- is bonded in a distorted body-centered cubic geometry to six equivalent Li1+ and two equivalent In3+ atoms.

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36 MATERIALS SCIENCEcrystal structureIn-Li-NLi3InN2

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2020-04-29. Materials Data on Li3InN2 by Materials Project. https://doi.org/10.17188/1739082

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