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DOE OSTI · 1697690

Materials Data on Na3TbCl6 by Materials Project

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Abstract

(Na)2NaTbCl6 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 NaTbCl6 framework. In the NaTbCl6 framework, Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent TbCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.70 Å. Tb3+ is bonded to six equivalent Cl1- atoms to form TbCl6 octahedra that share corners with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tb–Cl bond lengths are 2.63 Å. Cl1- is bonded in a linear geometry to one Na1+ and one Tb3+ atom.

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36 MATERIALS SCIENCECl-Na-Tbcrystal structureNa3TbCl6

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2020-05-02. Materials Data on Na3TbCl6 by Materials Project. https://doi.org/10.17188/1697690

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