1：Experimental Design and Method Selection:

The study involved synthesizing polycrystalline ZnFe2O4 samples with varying degrees of inversion using a solid-state reaction method, followed by characterization using XRD, M?ssbauer spectroscopy, Raman spectroscopy, UV-Vis-NIR spectroscopy, and ab initio calculations to analyze structural, magnetic, and optical properties.

2：Sample Selection and Data Sources:

Five ZFO samples were prepared by calcining stoichiometric mixtures of ZnO and Fe2O3 powders at different temperatures (773 K to 1173 K) and quenching in cold water to achieve degrees of inversion from 0.07 to 0.20. Data were collected from experimental measurements and theoretical simulations.

3：07 to Data were collected from experimental measurements and theoretical simulations. List of Experimental Equipment and Materials:

3. List of Experimental Equipment and Materials: Equipment included an StadiMP diffractometer, MIMOS II M?ssbauer spectrometer, Bruker Senterra micro-Raman spectrometer, Agilent Carry 5000 UV-Vis-NIR spectrometer, JEOL JSM-6700F SEM, and computational tools like CRYSTAL14 and VASP. Materials included ZnO (Sigma Aldrich, ≥99.0%) and Fe2O3 (Sigma Aldrich, ≥99.0%).

4：0%) and Fe2O3 (Sigma Aldrich, ≥0%). Experimental Procedures and Operational Workflow:

4. Experimental Procedures and Operational Workflow: Samples were synthesized by mixing powders, calcining, pressing into pellets, and further calcining at specific temperatures with controlled heating and cooling rates. Characterization involved XRD for structural analysis, M?ssbauer for cation distribution, Raman for vibrational modes, UV-Vis-NIR for optical properties, and SEM for morphology. Ab initio calculations were performed for theoretical support.

5：Data Analysis Methods:

Data were analyzed using Rietveld refinement with TOPAS software, least-squares fitting for M?ssbauer spectra, Gaussian deconvolution for Raman and UV-Vis-NIR spectra, and computational methods for theoretical predictions.