Abstract The issue of disposal of zirconium containing radioactive waste has not yet been resolved. The safety of storage and disposal facilities is defined by the migration ability of radionuclides. One of the main factors determining the behavior of metal cations in the environment is sorption on minerals. This is the study of zirconium sorption on quartz as one of the major natural mineral. Sorption mechanisms and its quantitative characteristics have been investigated by experimental methods and calculations with DFT. Data on the sorption of zirconium on quartz have been obtained for the first time and can be used for further research.