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DOE OSTI · 1291069

Materials Data on YbAlO3 by Materials Project

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Abstract

YbAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb3+ is bonded to twelve equivalent O2- atoms to form YbO12 cuboctahedra that share corners with twelve equivalent YbO12 cuboctahedra, faces with six equivalent YbO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All Yb–O bond lengths are 2.62 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent YbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.86 Å. O2- is bonded in a distorted linear geometry to four equivalent Yb3+ and two equivalent Al3+ atoms.

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36 MATERIALS SCIENCEAl-O-Ybcrystal structureYbAlO3

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2020-05-03. Materials Data on YbAlO3 by Materials Project. https://doi.org/10.17188/1291069

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