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DOE OSTI · 1737250

Materials Data on CsTaO3 by Materials Project

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Abstract

CsTaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent O2- atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra, faces with six equivalent CsO12 cuboctahedra, and faces with eight equivalent TaO6 octahedra. All Cs–O bond lengths are 2.93 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.07 Å. O2- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Ta5+ atoms.

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36 MATERIALS SCIENCEcrystal structureCs-O-TaCsTaO3

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2020-05-02. Materials Data on CsTaO3 by Materials Project. https://doi.org/10.17188/1737250

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