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DOE OSTI · 1266931

Materials Data on BaTeO3 by Materials Project

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Abstract

BaTeO3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ba2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.80–2.94 Å. Te4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are three shorter (1.90 Å) and one longer (2.80 Å) Te–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded to three equivalent Ba2+ and one Te4+ atom to form a mixture of distorted edge and corner-sharing OBa3Te tetrahedra.

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36 MATERIALS SCIENCEBa-O-TeBaTeO3crystal structure

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2020-07-16. Materials Data on BaTeO3 by Materials Project. https://doi.org/10.17188/1266931

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