Zirconium alloys are active in the molten state and tend to react with the mold during casting. The casting technology of zirconium is not yet well established; especially in selecting the mold materials, which are difficult to determine. In the present work, the interfacial reactions between zirconium casting and casting mold were studied. The zirconium alloy was melted in a vacuum arc skull furnace and then cast into the graphite mold and ceramic mold, respectively. The zirconium casting samples were characterized using SEM, EDS and XRD with an emphasis on the chemical diffusion of elements. A reaction layer was observed at the casting surface. Chemical analysis shows that chemical elements C, O and Y from the mold are diffused into the molten zirconium, and new phases, such as ZrC, Zr30, YO1.335 and Y6ZrO11, are formed at the surface. In addition, an end product of zirconium valve cast in a yttria mold has a compact structure and good surface quality.