Structure and Thermal Behavior of Potassium Oxofluorozirconate K2Zr3OF12

Oxofluorozirconate K2Zr3OF12 was prepared by heating an aqueous suspension of KZrF5. Its structure and thermal decomposition were studied by thermal analysis (DTA–TG), X-ray powder diffraction (XRD), IR and Raman spectroscopy. The complete hydrolytic decomposition of K2Zr3OF12 at 620°C mainly yields a mixture of monoclinic K2ZrF6 and ZrO2 phases. Experimental IR and Raman spectra of oxofluorozirconate K2Zr3OF12 and its heating products were measured, systematized, and analyzed. The bands in the experimental spectra were assigned based on the results of quantum-chemical calculations.