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DOE OSTI · 1289987

Materials Data on NdSmO2 by Materials Project

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Abstract

SmNdO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm2+ is bonded to six equivalent O2- atoms to form SmO6 octahedra that share corners with six equivalent NdO6 octahedra, edges with six equivalent SmO6 octahedra, and edges with six equivalent NdO6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Sm–O bond lengths are 2.44 Å. Nd2+ is bonded to six equivalent O2- atoms to form NdO6 octahedra that share corners with six equivalent SmO6 octahedra, edges with six equivalent SmO6 octahedra, and edges with six equivalent NdO6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Nd–O bond lengths are 2.58 Å. O2- is bonded to three equivalent Sm2+ and three equivalent Nd2+ atoms to form a mixture of edge and corner-sharing ONd3Sm3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureNd-O-SmNdSmO2

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2020-07-24. Materials Data on NdSmO2 by Materials Project. https://doi.org/10.17188/1289987

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