DOI > 10.5291/ILL-DATA.5-21-1145

This proposal is publicly available since 09/13/2025

Title

Nonconvergent cation ordering in spinel-structure ZnGa2O4 and (Mg,Zn)Ga2O4

Abstract

ZnGa2O4, MgGa2O4 and their solid solutions are transparent semiconducting oxides with spinel-type structure, which have many advantageous physicochemical properties for technological applications. In MgGa2O4, we found that the cation order on the two crystallographic sites becomes increasingly random after it is heated above a transition temperature Tc, below which the state of order cannot relax in laboratory timescales, which significantly affects its properties. In contrast to MgGa2O4, the thermoelastic properties of ZnGa2O4 suggest that the cations become increasingly ordered above Tc, which is very unusual and requires verification by an independent experimental approach. To investigate this issue and understand the properties of both ZnGa2O4 and a solid solution, Mg0.33Zn0.67Ga2.00O4, where there are no published data on the cation order as of yet, we plan to use neutron powder diffraction at several temperatures to determine the state of cation order in these materials. Laboratory X-ray techniques are insufficient to tackle this problem due to the extremely similar atomic form factors of Zn2+ and Ga3+.

Experimental Report

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Data Citation

The recommended format for citing this dataset in a research publication is in the following format:

HIRSCHLE Christian; RITTER Clemens and SCHREUER Jürgen. (2020). Nonconvergent cation ordering in spinel-structure ZnGa2O4 and (Mg,Zn)Ga2O4. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-21-1145

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Metadata

Experiment Parameters

  • Environment temperature

    ambient to 1000 K; stable up to 1500 K
  • Experiment energy

    1.051 Å

Sample Parameters

  • Formula

    • ZnGa2O4
    • Mg0.33Zn0.67Ga2O4