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DOE OSTI · 1655541

Materials Data on CePrO2 by Materials Project

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Abstract

PrCeO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded to six equivalent O atoms to form PrO6 octahedra that share corners with six equivalent CeO6 octahedra, edges with six equivalent PrO6 octahedra, and edges with six equivalent CeO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Pr–O bond lengths are 2.57 Å. Ce is bonded to six equivalent O atoms to form CeO6 octahedra that share corners with six equivalent PrO6 octahedra, edges with six equivalent PrO6 octahedra, and edges with six equivalent CeO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Ce–O bond lengths are 2.48 Å. O is bonded to three equivalent Pr and three equivalent Ce atoms to form a mixture of edge and corner-sharing OCe3Pr3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCECe-O-PrCePrO2crystal structure

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2020-07-20. Materials Data on CePrO2 by Materials Project. https://doi.org/10.17188/1655541

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