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DOE OSTI · 1753386

Materials Data on Na2LiLaCl6 by Materials Project

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Abstract

(Na)2LiLaCl6 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 LiLaCl6 framework. In the LiLaCl6 framework, Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent LaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.53 Å. La3+ is bonded to six equivalent Cl1- atoms to form LaCl6 octahedra that share corners with six equivalent LiCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All La–Cl bond lengths are 2.75 Å. Cl1- is bonded in a linear geometry to one Li1+ and one La3+ atom.

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36 MATERIALS SCIENCECl-La-Li-Nacrystal structureNa2LiLaCl6

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2020-05-04. Materials Data on Na2LiLaCl6 by Materials Project. https://doi.org/10.17188/1753386

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