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DOE OSTI · 1685985

Materials Data on TaInO3 by Materials Project

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Abstract

TaInO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. 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 InO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.03 Å. In1+ is bonded to twelve equivalent O2- atoms to form InO12 cuboctahedra that share corners with twelve equivalent InO12 cuboctahedra, faces with six equivalent InO12 cuboctahedra, and faces with eight equivalent TaO6 octahedra. All In–O bond lengths are 2.88 Å. O2- is bonded in a linear geometry to two equivalent Ta5+ and four equivalent In1+ atoms.

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36 MATERIALS SCIENCEcrystal structureIn-O-TaTaInO3

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2020-05-03. Materials Data on TaInO3 by Materials Project. https://doi.org/10.17188/1685985

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