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DOE OSTI · 1312123

Materials Data on PrNdO2 by Materials Project

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Abstract

NdPrO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd is bonded to six equivalent O atoms to form NdO6 octahedra that share corners with six equivalent PrO6 octahedra, edges with six equivalent NdO6 octahedra, and edges with six equivalent PrO6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Nd–O bond lengths are 2.48 Å. Pr is bonded to six equivalent O atoms to form PrO6 octahedra that share corners with six equivalent NdO6 octahedra, edges with six equivalent NdO6 octahedra, and edges with six equivalent PrO6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Pr–O bond lengths are 2.61 Å. O is bonded to three equivalent Nd and three equivalent Pr atoms to form a mixture of edge and corner-sharing OPr3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureNd-O-PrPrNdO2

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2020-07-24. Materials Data on PrNdO2 by Materials Project. https://doi.org/10.17188/1312123

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