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DOE OSTI · 1743308

Materials Data on UHgO3 by Materials Project

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Abstract

UHgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U4+ is bonded to six equivalent O2- atoms to form UO6 octahedra that share corners with six equivalent UO6 octahedra and faces with eight equivalent HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All U–O bond lengths are 2.14 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 UO6 octahedra. All Hg–O bond lengths are 3.03 Å. O2- is bonded in a linear geometry to two equivalent U4+ and four equivalent Hg2+ atoms.

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36 MATERIALS SCIENCEcrystal structureHg-O-UUHgO3

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2020-05-04. Materials Data on UHgO3 by Materials Project. https://doi.org/10.17188/1743308

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