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DOE OSTI · 1307877

Materials Data on RbNdO2 by Materials Project

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Abstract

RbNdO2 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 NdO6 octahedra, edges with six equivalent RbO6 octahedra, and edges with six equivalent NdO6 octahedra. The corner-sharing octahedral tilt angles are 15°. All Rb–O bond lengths are 2.99 Å. Nd3+ is bonded to six equivalent O2- atoms to form NdO6 octahedra that share corners with six equivalent RbO6 octahedra, edges with six equivalent RbO6 octahedra, and edges with six equivalent NdO6 octahedra. The corner-sharing octahedral tilt angles are 15°. All Nd–O bond lengths are 2.43 Å. O2- is bonded to three equivalent Rb1+ and three equivalent Nd3+ atoms to form a mixture of distorted edge and corner-sharing ORb3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureNd-O-RbRbNdO2

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2020-07-16. Materials Data on RbNdO2 by Materials Project. https://doi.org/10.17188/1307877

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