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DOE OSTI · 1725097

Materials Data on SrLiTiF6 by Materials Project

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Abstract

LiSrTiF6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent SrF6 octahedra and edges with three equivalent TiF6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Li–F bond lengths are 2.08 Å. Sr2+ is bonded to six equivalent F1- atoms to form SrF6 octahedra that share corners with six equivalent LiF6 octahedra and corners with six equivalent TiF6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. All Sr–F bond lengths are 2.46 Å. Ti3+ is bonded to six equivalent F1- atoms to form TiF6 octahedra that share corners with six equivalent SrF6 octahedra and edges with three equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Ti–F bond lengths are 1.99 Å. F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Sr2+, and one Ti3+ atom.

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36 MATERIALS SCIENCEcrystal structureF-Li-Sr-TiSrLiTiF6

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2020-05-02. Materials Data on SrLiTiF6 by Materials Project. https://doi.org/10.17188/1725097

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