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DOE OSTI · 1289406

Materials Data on BaYb2O4 by Materials Project

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Abstract

BaYb2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ba2+ is bonded to four equivalent O2- atoms to form BaO4 tetrahedra that share corners with twelve equivalent YbO6 octahedra. The corner-sharing octahedra tilt angles range from 58–64°. All Ba–O bond lengths are 2.52 Å. Yb3+ is bonded to six equivalent O2- atoms to form YbO6 octahedra that share corners with six equivalent BaO4 tetrahedra and edges with six equivalent YbO6 octahedra. All Yb–O bond lengths are 2.33 Å. O2- is bonded to one Ba2+ and three equivalent Yb3+ atoms to form a mixture of distorted edge and corner-sharing OBaYb3 tetrahedra.

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36 MATERIALS SCIENCEBa-O-YbBaYb2O4crystal structure

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2020-07-22. Materials Data on BaYb2O4 by Materials Project. https://doi.org/10.17188/1289406

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