Crystallographic investigation of the ternary compounds in the Zr–Li–Si system

By means of X-ray structural analysis the isothermal section of the Zr–Li–Si phase diagram at 470 K has been built. Four new ZrLi₂Si, ZrLiSi, Zr₄Li_1.38Si₄ and Zr_2−xLi_x+ySi_1−y (x=0.17, y=0.12) ternary compounds have been found in this system. The ZrLi₂Si compound crystallizes in the ZnLi₂Si structure type (space group $\text{P}\text{3}\text{m1}$), ZrLiSi compound crystallizes in the CdJ₂ structure type (space group $\text{P}\text{3}\text{m1}$). Crystal structure of the Zr₄Li_1.38Si₄ (new structure type, space group Cmcm) and Zr_2−xLi_x+ySi_1−y (x=0.17, y=0.12) compounds were investigated by the X-ray single crystal methods. The Zr_2−xLi_x+ySi_1−y (x=0.17, y=0.12) new ternary compound is a antitype to the CaSb₂ structure type (space group P2₁/m).