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DOE OSTI · 1268462

Materials Data on LiZnO2 by Materials Project

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Abstract

LiZnO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m 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 ZnO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Li–O bond lengths are 2.15 Å. Zn is bonded to six equivalent O atoms to form ZnO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Zn–O bond lengths are 2.08 Å. O is bonded to three equivalent Li and three equivalent Zn atoms to form a mixture of edge and corner-sharing OLi3Zn3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureLi-O-ZnLiZnO2

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2020-05-03. Materials Data on LiZnO2 by Materials Project. https://doi.org/10.17188/1268462

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