This is the data set associated with the article 'Zinc depletion at the ZnFe2O3 (111) single crystal surface: X-ray spectroscopy experiments and computer simulations'. The contents are split into sections: experimental and computational. The experimental section contains data collected by the following methods: X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (XAS), and scanning tunnelling microscopy (STM). The calculations section includes data collected using Density Functional Theory (DFT). Most of the data has been uploaded in the form of plain text files, except the STM data which is uploaded as both a .png file and a .sm file (which can be opened using free STM processing software such as Gwyddion - https://gwyddion.net).