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DOE OSTI · 1664094

Materials Data on Na2LiErCl6 by Materials Project

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Abstract

(Na)2LiErCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one LiErCl6 framework. In the LiErCl6 framework, Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent ErCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.52 Å. Er3+ is bonded to six equivalent Cl1- atoms to form ErCl6 octahedra that share corners with six equivalent LiCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Er–Cl bond lengths are 2.59 Å. Cl1- is bonded in a linear geometry to one Li1+ and one Er3+ atom.

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36 MATERIALS SCIENCECl-Er-Li-Nacrystal structureNa2LiErCl6

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2020-05-03. Materials Data on Na2LiErCl6 by Materials Project. https://doi.org/10.17188/1664094

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