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DOE OSTI · 1310412

Materials Data on NaPaO3 by Materials Project

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Abstract

NaPaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent PaO6 octahedra. All Na–O bond lengths are 3.08 Å. Pa5+ is bonded to six equivalent O2- atoms to form PaO6 octahedra that share corners with six equivalent PaO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.18 Å. O2- is bonded in a linear geometry to four equivalent Na1+ and two equivalent Pa5+ atoms.

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36 MATERIALS SCIENCEcrystal structureNa-O-PaNaPaO3

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2020-07-23. Materials Data on NaPaO3 by Materials Project. https://doi.org/10.17188/1310412

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