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DOE OSTI · 1199117

Materials Data on Li2ZnCl4 by Materials Project

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Abstract

Li2ZnCl4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent ZnCl4 tetrahedra and edges with six equivalent LiCl6 octahedra. All Li–Cl bond lengths are 2.57 Å. Zn2+ is bonded to four equivalent Cl1- atoms to form ZnCl4 tetrahedra that share corners with twelve equivalent LiCl6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Zn–Cl bond lengths are 2.32 Å. Cl1- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Li1+ and one Zn2+ atom.

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36 MATERIALS SCIENCECl-Li-Zncrystal structureLi2ZnCl4

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2020-07-15. Materials Data on Li2ZnCl4 by Materials Project. https://doi.org/10.17188/1199117

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