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DOE OSTI · 1746054

Materials Data on LiHoO2 by Materials Project

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Abstract

LiHoO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m 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 HoO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent HoO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Li–O bond lengths are 2.36 Å. Ho3+ is bonded to six equivalent O2- atoms to form HoO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent HoO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Ho–O bond lengths are 2.27 Å. O2- is bonded to three equivalent Li1+ and three equivalent Ho3+ atoms to form a mixture of edge and corner-sharing OLi3Ho3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureHo-Li-OLiHoO2

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2020-05-02. Materials Data on LiHoO2 by Materials Project. https://doi.org/10.17188/1746054

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