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DOE OSTI · 1757441

Materials Data on CsNpO3 by Materials Project

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Abstract

CsNpO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent O2- atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra, faces with six equivalent CsO12 cuboctahedra, and faces with eight equivalent NpO6 octahedra. All Cs–O bond lengths are 3.10 Å. Np5+ is bonded to six equivalent O2- atoms to form NpO6 octahedra that share corners with six equivalent NpO6 octahedra and faces with eight equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Np–O bond lengths are 2.20 Å. O2- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Np5+ atoms.

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36 MATERIALS SCIENCEcrystal structureCs-Np-OCsNpO3

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2020-09-03. Materials Data on CsNpO3 by Materials Project. https://doi.org/10.17188/1757441

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