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DOE OSTI · 1753682

Materials Data on LiCrN2 by Materials Project

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Abstract

LiCrN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Li1+ is bonded to four equivalent N3- atoms to form LiN4 tetrahedra that share corners with four equivalent LiN4 tetrahedra and corners with eight equivalent CrN4 tetrahedra. All Li–N bond lengths are 2.13 Å. Cr5+ is bonded to four equivalent N3- atoms to form CrN4 tetrahedra that share corners with four equivalent CrN4 tetrahedra and corners with eight equivalent LiN4 tetrahedra. All Cr–N bond lengths are 1.79 Å. N3- is bonded to two equivalent Li1+ and two equivalent Cr5+ atoms to form corner-sharing NLi2Cr2 tetrahedra.

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36 MATERIALS SCIENCECr-Li-Ncrystal structureLiCrN2

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2020-05-03. Materials Data on LiCrN2 by Materials Project. https://doi.org/10.17188/1753682

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