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Nanocrystalline zinc peroxide (nano-ZnO 2) was synthesized through a hydrothermal process and comprehensively studied using several experimental techniques. Its crystal structure was characterized by X-ray diffraction, and the average crystallite size of 22 nm was estimated by Rietveld refinement. The temperature-dependent local environment around zinc atoms was reconstructed using reverse Monte Carlo (RMC) analysis from the Zn K-edge X-ray absorption spectra. The indirect band gap of about 4.6 eV was found using optical absorption spectroscopy. Lattice dynamics of nano-ZnO 2 was studied by infrared and Raman spectroscopy. In situ Raman measurements indicate the stability of nano-ZnO 2 up to 250 °C above which it decomposes into ZnO and O 2. The obtained experimental results were supported by first-principles density functional theory (DFT) calculations. • The ZnO 2 nanopowder sample was produced by a hydrothermal process. • The ZnO 2 nanopowder consists of hollow structures with a size of 200–500 nm. • The static disorder in nano-ZnO 2 dominates significantly the vibrational one. • DFT simulations reproduce well electronic and vibrational properties of ZnO 2. • Thermal decomposition of ZnO 2 to wurtzite ZnO around 250 °C was observed. [ABSTRACT FROM AUTHOR]