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DOE OSTI · 1714584

Materials Data on RbPrO2 by Materials Project

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Abstract

RbPrO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent O2- atoms to form distorted RbO6 octahedra that share corners with six equivalent PrO6 octahedra, edges with six equivalent RbO6 octahedra, and edges with six equivalent PrO6 octahedra. The corner-sharing octahedral tilt angles are 15°. All Rb–O bond lengths are 3.00 Å. Pr3+ is bonded to six equivalent O2- atoms to form PrO6 octahedra that share corners with six equivalent RbO6 octahedra, edges with six equivalent RbO6 octahedra, and edges with six equivalent PrO6 octahedra. The corner-sharing octahedral tilt angles are 15°. All Pr–O bond lengths are 2.45 Å. O2- is bonded to three equivalent Rb1+ and three equivalent Pr3+ atoms to form a mixture of distorted corner and edge-sharing ORb3Pr3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureO-Pr-RbRbPrO2

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2020-05-03. Materials Data on RbPrO2 by Materials Project. https://doi.org/10.17188/1714584

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