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DOE OSTI · 1313151

Materials Data on LiC2NO6 by Materials Project

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Abstract

LiC2NO6 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent NO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Li–O bond lengths are 2.14 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. N3+ is bonded to six equivalent O2- atoms to form NO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All N–O bond lengths are 1.97 Å. O2- is bonded in a distorted trigonal planar geometry to one Li1+, one C4+, and one N3+ atom.

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36 MATERIALS SCIENCEC-Li-N-Ocrystal structureLiC2NO6

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2020-05-02. Materials Data on LiC2NO6 by Materials Project. https://doi.org/10.17188/1313151

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