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DOE OSTI · 1679432

Materials Data on LiYbO3 by Materials Project

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Abstract

LiYbO3 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 YbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–O bond lengths are 1.85 Å. Yb is bonded to twelve equivalent O atoms to form YbO12 cuboctahedra that share corners with twelve equivalent YbO12 cuboctahedra, faces with six equivalent YbO12 cuboctahedra, and faces with eight equivalent LiO6 octahedra. All Yb–O bond lengths are 2.62 Å. O is bonded in a distorted linear geometry to two equivalent Li and four equivalent Yb atoms.

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36 MATERIALS SCIENCEcrystal structureLi-O-YbLiYbO3

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2020-05-03. Materials Data on LiYbO3 by Materials Project. https://doi.org/10.17188/1679432

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