Revisiting the Hydration and Dehydration Behavior of Li 3 InCl 6 and Li 3 InCl 6 · x H 2 O : Crystal Structure Determination of an Intermediate Hydrated Phase
Year: 2025
Type: article
Abstract: Lithium indium chloride, Li 3 InCl 6, is a promising solid-state electrolyte for all-solid-state batteries (ASSBs) due to its high room-temperature ionic conductivity and electrochemical stability. However, its sensitivity to atmospheric moisture leads to the formation of stable crystalline hydrates, which significantly affect both its electrochemical performance and crystal chemistry. In this study, temperature- and time-dependent in situ X-ray diffraction was employed to investigate the underlying mechanisms governing the hydration and dehydration processes of Li 3 InCl 6 and its hydrated counterpart, Li 3 InCl 6 ·x H 2 O ( x > 2), by monitoring the associated structural transformations. The study reveals a two-step phase transition between the hydrated and dehydrated phases, with the identification of an intermediate phase, Li 3 InCl 6 · y H 2 O (1.5 < y < 2). Coupled Rietveld refinements of X-ray and neutron powder diffraction data elucidate the crystal structure of this intermediate hydrate, providing crucial insights into the reversible reaction mechanism of Li 3 InCl 6 . Understanding these hydration and dehydration processes is vital for optimizing the electrochemical performance and stability of Li 3 InCl 6 in ASSBs applications.
Source: Inorganic Chemistry
Language: English
Subfield: Electrical and Electronic Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: green
Funder: Universität Stuttgart
OpenAlex ID: W4413787719