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DOE OSTI · 1754152

Materials Data on LiLa2FeO6 by Materials Project

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Abstract

La2LiFeO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li is bonded to six equivalent O atoms to form LiO6 octahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 17°. All Li–O bond lengths are 2.05 Å. La is bonded in a 12-coordinate geometry to nine equivalent O atoms. There are a spread of La–O bond distances ranging from 2.47–2.77 Å. Fe is bonded to six equivalent O atoms to form FeO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 17°. All Fe–O bond lengths are 1.88 Å. O is bonded in a 2-coordinate geometry to one Li, three equivalent La, and one Fe atom.

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36 MATERIALS SCIENCEcrystal structureFe-La-Li-OLiLa2FeO6

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2020-05-09. Materials Data on LiLa2FeO6 by Materials Project. https://doi.org/10.17188/1754152

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