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DOE OSTI · 1731816

Materials Data on Na3CeCl6 by Materials Project

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Abstract

(Na)2NaCeCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one NaCeCl6 framework. In the NaCeCl6 framework, Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent CeCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.71 Å. Ce3+ is bonded to six equivalent Cl1- atoms to form CeCl6 octahedra that share corners with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–Cl bond lengths are 2.73 Å. Cl1- is bonded in a linear geometry to one Na1+ and one Ce3+ atom.

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36 MATERIALS SCIENCECe-Cl-Nacrystal structureNa3CeCl6

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2020-05-03. Materials Data on Na3CeCl6 by Materials Project. https://doi.org/10.17188/1731816

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