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DOE OSTI · 1738706

Materials Data on LiRuN by Materials Project

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Abstract

LiRuN is Rutile-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent N3- atoms. There are two shorter (2.09 Å) and one longer (2.13 Å) Li–N bond lengths. Ru2+ is bonded in a distorted trigonal planar geometry to three equivalent N3- atoms. There is one shorter (1.93 Å) and two longer (2.00 Å) Ru–N bond length. N3- is bonded to three equivalent Li1+ and three equivalent Ru2+ atoms to form a mixture of edge and corner-sharing NLi3Ru3 octahedra. The corner-sharing octahedral tilt angles are 49°.

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36 MATERIALS SCIENCEcrystal structureLi-N-RuLiRuN

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2020-05-03. Materials Data on LiRuN by Materials Project. https://doi.org/10.17188/1738706

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