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DOE OSTI · 1195273

Materials Data on BaTbO3 by Materials Project

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Abstract

BaTbO3 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to seven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.72–3.24 Å. Tb4+ is bonded to six O2- atoms to form corner-sharing TbO6 octahedra. The corner-sharing octahedra tilt angles range from 21–26°. All Tb–O bond lengths are 2.26 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent Tb4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+ and two equivalent Tb4+ atoms.

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36 MATERIALS SCIENCEBa-O-TbBaTbO3crystal structure

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2020-07-16. Materials Data on BaTbO3 by Materials Project. https://doi.org/10.17188/1195273

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