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Framework Short-Range Order Observed in a Spinel-Type Li Superionic Conductor.

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  • 1Department of Materials Science and Engineering, University of California Berkeley, Berkeley, California 94720, United States.

Journal of the American Chemical Society
|February 23, 2026
PubMed
Summary
This summary is machine-generated.

Researchers studied a lithium superionic conductor, Li$_{16.2(1)}$In$_{9.00(2)}$Sn$_{1.10(1)}$O$_{23.8}$ (LISO), revealing short-range order in its structure. This finding helps understand structure-property relationships in disordered ionic conductors.

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Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Crystallography

Background:

  • Solid-state superionic conductors exhibit complex structural disorders crucial for their function.
  • Short-range order in these materials is often undetected by conventional methods, hindering precise structure-property relationship establishment.

Purpose of the Study:

  • To characterize the structural subtleties of the lithium superionic conductor Li$_{16.2(1)}$In$_{9.00(2)}$Sn$_{1.10(1)}$O$_{23.8}$ (LISO).
  • To investigate the role of short-range order in the phase stability and ionic conductivity of LISO.

Main Methods:

  • Single-crystal synthesis and characterization.
  • Single-crystal neutron diffraction.
  • Synchrotron diffuse scattering, 3D-ΔPDF analysis, and Monte Carlo simulations.

Main Results:

  • LISO exhibits a spinel-like phase with significant lithium overstoichiometry and a face-sharing lithium network.
  • Neutron diffraction confirmed substantial lithium disorder, including site splitting and partial occupancy.
  • Diffuse scattering and advanced analyses revealed short-range order in the non-lithium framework.

Conclusions:

  • Short-range order in the LISO framework may enhance phase stability and ionic conductivity.
  • This study demonstrates visualization of local energetics in disordered ionic conductors.
  • Precise structure-property relationships in superionic conductors can be elucidated through advanced characterization techniques.