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DOE OSTI · 1317288

Materials Data on LiSnCl3 by Materials Project

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Abstract

LiSnCl3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Li1+ is bonded to six Cl1- atoms to form corner-sharing LiCl6 octahedra. The corner-sharing octahedra tilt angles range from 10–11°. There are a spread of Li–Cl bond distances ranging from 2.50–2.72 Å. Sn2+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are two shorter (2.58 Å) and one longer (2.59 Å) Sn–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one Sn2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one Sn2+ atom. In the third Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one Sn2+ atom.

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36 MATERIALS SCIENCECl-Li-Sncrystal structureLiSnCl3

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2020-05-03. Materials Data on LiSnCl3 by Materials Project. https://doi.org/10.17188/1317288

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