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DOE OSTI · 1688889

Materials Data on Li3ScCl6 by Materials Project

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Abstract

(Li)2LiScCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight lithium molecules and one LiScCl6 framework. In the LiScCl6 framework, Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent ScCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.49 Å. Sc3+ is bonded to six equivalent Cl1- atoms to form ScCl6 octahedra that share corners with six equivalent LiCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–Cl bond lengths are 2.47 Å. Cl1- is bonded in a linear geometry to one Li1+ and one Sc3+ atom.

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36 MATERIALS SCIENCECl-Li-Sccrystal structureLi3ScCl6

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2020-05-02. Materials Data on Li3ScCl6 by Materials Project. https://doi.org/10.17188/1688889

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