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DOE OSTI · 1730836

Materials Data on PaTaO3 by Materials Project

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Abstract

PaTaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa3+ is bonded to twelve equivalent O2- atoms to form PaO12 cuboctahedra that share corners with twelve equivalent PaO12 cuboctahedra, faces with six equivalent PaO12 cuboctahedra, and faces with eight equivalent TaO6 octahedra. All Pa–O bond lengths are 2.86 Å. Ta3+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent PaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.02 Å. O2- is bonded in a distorted linear geometry to four equivalent Pa3+ and two equivalent Ta3+ atoms.

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36 MATERIALS SCIENCEcrystal structureO-Pa-TaPaTaO3

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2020-05-02. Materials Data on PaTaO3 by Materials Project. https://doi.org/10.17188/1730836

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