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

Abstract

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 ZrLi 2Si, ZrLiSi, Zr 4Li 1.38Si 4 and Zr 2− x Li x+ y Si 1− y ( x=0.17, y=0.12) ternary compounds have been found in this system. The ZrLi 2Si compound crystallizes in the ZnLi 2Si structure type (space group P 3m1 ), ZrLiSi compound crystallizes in the CdJ 2 structure type (space group P 3m1 ). Crystal structure of the Zr 4Li 1.38Si 4 (new structure type, space group Cmcm) and Zr 2− x Li x+ y Si 1− y ( x=0.17, y=0.12) compounds were investigated by the X-ray single crystal methods. The Zr 2− x Li x+ y Si 1− y ( x=0.17, y=0.12) new ternary compound is a antitype to the CaSb 2 structure type (space group P2 1/ m).