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DOE OSTI · 1270421

Materials Data on Ce3Ta(ClO2)3 by Materials Project

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Abstract

Ce3Ta(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ce+3.33+ is bonded in a 10-coordinate geometry to six equivalent O2- and four equivalent Cl1- atoms. There are a spread of Ce–O bond distances ranging from 2.34–2.64 Å. There are a spread of Ce–Cl bond distances ranging from 3.03–3.06 Å. Ta5+ is bonded in a distorted pentagonal pyramidal geometry to six equivalent O2- atoms. All Ta–O bond lengths are 2.00 Å. O2- is bonded in a 4-coordinate geometry to three equivalent Ce+3.33+ and one Ta5+ atom. Cl1- is bonded in a 4-coordinate geometry to four equivalent Ce+3.33+ atoms.

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36 MATERIALS SCIENCECe-Cl-O-TaCe3Ta(ClO2)3crystal structure

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2020-07-24. Materials Data on Ce3Ta(ClO2)3 by Materials Project. https://doi.org/10.17188/1270421

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DOE OSTI2026

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