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DOE OSTI · 1746679

Materials Data on CeTaO3 by Materials Project

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Abstract

CeTaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent O2- atoms to form CeO12 cuboctahedra that share corners with twelve equivalent CeO12 cuboctahedra, faces with six equivalent CeO12 cuboctahedra, and faces with eight equivalent TaO6 octahedra. All Ce–O bond lengths are 2.87 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 CeO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.03 Å. O2- is bonded in a distorted linear geometry to four equivalent Ce3+ and two equivalent Ta3+ atoms.

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36 MATERIALS SCIENCECe-O-TaCeTaO3crystal structure

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2020-05-03. Materials Data on CeTaO3 by Materials Project. https://doi.org/10.17188/1746679

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