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DOE OSTI · 1757014

Materials Data on NpHgO3 by Materials Project

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Abstract

NpHgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np4+ is bonded to six equivalent O2- atoms to form NpO6 octahedra that share corners with six equivalent NpO6 octahedra and faces with eight equivalent HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Np–O bond lengths are 2.13 Å. Hg2+ is bonded to twelve equivalent O2- atoms to form HgO12 cuboctahedra that share corners with twelve equivalent HgO12 cuboctahedra, faces with six equivalent HgO12 cuboctahedra, and faces with eight equivalent NpO6 octahedra. All Hg–O bond lengths are 3.02 Å. O2- is bonded in a linear geometry to two equivalent Np4+ and four equivalent Hg2+ atoms.

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36 MATERIALS SCIENCEcrystal structureHg-Np-ONpHgO3

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2020-09-03. Materials Data on NpHgO3 by Materials Project. https://doi.org/10.17188/1757014

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