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DOE OSTI · 1315186

Materials Data on LiLuO3 by Materials Project

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Abstract

LiLuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-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 LiO6 octahedra and faces with eight equivalent LuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 1.81 Å. Lu is bonded to twelve equivalent O atoms to form LuO12 cuboctahedra that share corners with twelve equivalent LuO12 cuboctahedra, faces with six equivalent LuO12 cuboctahedra, and faces with eight equivalent LiO6 octahedra. All Lu–O bond lengths are 2.57 Å. O is bonded in a distorted linear geometry to two equivalent Li and four equivalent Lu atoms.

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36 MATERIALS SCIENCEcrystal structureLi-Lu-OLiLuO3

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2020-05-03. Materials Data on LiLuO3 by Materials Project. https://doi.org/10.17188/1315186

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