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DOE OSTI · 1758929

Materials Data on YbPrO2 by Materials Project

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Abstract

YbPrO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Yb is bonded to six equivalent O atoms to form YbO6 octahedra that share corners with six equivalent PrO6 octahedra, edges with six equivalent YbO6 octahedra, and edges with six equivalent PrO6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Yb–O bond lengths are 2.39 Å. Pr is bonded to six equivalent O atoms to form PrO6 octahedra that share corners with six equivalent YbO6 octahedra, edges with six equivalent YbO6 octahedra, and edges with six equivalent PrO6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Pr–O bond lengths are 2.55 Å. O is bonded to three equivalent Yb and three equivalent Pr atoms to form a mixture of edge and corner-sharing OYb3Pr3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureO-Pr-YbYbPrO2

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2020-09-03. Materials Data on YbPrO2 by Materials Project. https://doi.org/10.17188/1758929

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