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DOE OSTI · 1272828

Materials Data on BaPaO3 by Materials Project

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Abstract

BaPaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent PaO6 octahedra. All Ba–O bond lengths are 3.19 Å. Pa4+ is bonded to six equivalent O2- atoms to form PaO6 octahedra that share corners with six equivalent PaO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.26 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Pa4+ atoms.

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36 MATERIALS SCIENCEBa-O-PaBaPaO3crystal structure

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2020-07-16. Materials Data on BaPaO3 by Materials Project. https://doi.org/10.17188/1272828

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