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DOE OSTI · 1289115

Materials Data on TbCeO4 by Materials Project

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Abstract

TbCeO4 is Fluorite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tb4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.37–2.39 Å. Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.35–2.37 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tb4+ and two equivalent Ce4+ atoms to form a mixture of corner and edge-sharing OTb2Ce2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Tb4+ and two equivalent Ce4+ atoms to form a mixture of corner and edge-sharing OTb2Ce2 tetrahedra.

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36 MATERIALS SCIENCECe-O-Tbcrystal structureTbCeO4

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2020-07-22. Materials Data on TbCeO4 by Materials Project. https://doi.org/10.17188/1289115

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