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DOE OSTI · 1680235

Materials Data on NdNpO3 by Materials Project

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Abstract

NpNdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np3+ is bonded to twelve equivalent O2- atoms to form distorted NpO12 cuboctahedra that share corners with twelve equivalent NpO12 cuboctahedra, faces with six equivalent NpO12 cuboctahedra, and faces with eight equivalent NdO6 octahedra. All Np–O bond lengths are 3.18 Å. Nd3+ is bonded to six equivalent O2- atoms to form NdO6 octahedra that share corners with six equivalent NdO6 octahedra and faces with eight equivalent NpO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–O bond lengths are 2.25 Å. O2- is bonded in a linear geometry to four equivalent Np3+ and two equivalent Nd3+ atoms.

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36 MATERIALS SCIENCEcrystal structureNd-Np-ONdNpO3

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2020-05-02. Materials Data on NdNpO3 by Materials Project. https://doi.org/10.17188/1680235

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