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DOE OSTI · 1305162

Materials Data on LiVF3 by Materials Project

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Abstract

LiVF3 is Ilmenite-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six equivalent F1- atoms. There are three shorter (1.97 Å) and three longer (2.28 Å) Li–F bond lengths. V2+ is bonded to six equivalent F1- atoms to form distorted corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are three shorter (2.13 Å) and three longer (2.14 Å) V–F bond lengths. F1- is bonded to two equivalent Li1+ and two equivalent V2+ atoms to form a mixture of distorted edge and corner-sharing FLi2V2 trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureF-Li-VLiVF3

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2020-08-03. Materials Data on LiVF3 by Materials Project. https://doi.org/10.17188/1305162

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