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DOE OSTI · 1666770

Materials Data on KPaO3 by Materials Project

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Abstract

KPaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent PaO6 octahedra. All K–O bond lengths are 3.10 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 KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.19 Å. O2- is bonded in a distorted linear geometry to four equivalent K1+ and two equivalent Pa5+ atoms.

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36 MATERIALS SCIENCEcrystal structureK-O-PaKPaO3

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2020-07-23. Materials Data on KPaO3 by Materials Project. https://doi.org/10.17188/1666770

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