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DOE OSTI · 1748910

Materials Data on NdYO2 by Materials Project

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Abstract

NdYO2 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 YO6 octahedra, edges with six equivalent NdO6 octahedra, and edges with six equivalent YO6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Nd–O bond lengths are 2.66 Å. Y is bonded to six equivalent O atoms to form YO6 octahedra that share corners with six equivalent NdO6 octahedra, edges with six equivalent NdO6 octahedra, and edges with six equivalent YO6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Y–O bond lengths are 2.33 Å. O is bonded to three equivalent Nd and three equivalent Y atoms to form a mixture of edge and corner-sharing ONd3Y3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureNd-O-YNdYO2

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2020-05-03. Materials Data on NdYO2 by Materials Project. https://doi.org/10.17188/1748910

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