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DOE OSTI · 1746457

Materials Data on Na2LiCeCl6 by Materials Project

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Abstract

(Na)2LiCeCl6 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 LiCeCl6 framework. In the LiCeCl6 framework, Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent CeCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.53 Å. Ce3+ is bonded to six equivalent Cl1- atoms to form CeCl6 octahedra that share corners with six equivalent LiCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–Cl bond lengths are 2.72 Å. Cl1- is bonded in a linear geometry to one Li1+ and one Ce3+ atom.

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36 MATERIALS SCIENCECe-Cl-Li-Nacrystal structureNa2LiCeCl6

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2020-05-04. Materials Data on Na2LiCeCl6 by Materials Project. https://doi.org/10.17188/1746457

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