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DOE OSTI · 1729207

Materials Data on Na3LuCl6 by Materials Project

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Abstract

(Na)2NaLuCl6 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 NaLuCl6 framework. In the NaLuCl6 framework, Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent LuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.69 Å. Lu3+ is bonded to six equivalent Cl1- atoms to form LuCl6 octahedra that share corners with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Lu–Cl bond lengths are 2.56 Å. Cl1- is bonded in a linear geometry to one Na1+ and one Lu3+ atom.

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36 MATERIALS SCIENCECl-Lu-Nacrystal structureNa3LuCl6

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2020-05-03. Materials Data on Na3LuCl6 by Materials Project. https://doi.org/10.17188/1729207

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