Preparation and crystal structures of new barium zirconium sulfides, Ba2ZrS4 and Ba3Zr2S7

Abstract New barium zirconium sulfides, Ba 2 ZrS 4 and Ba 3 Zr 2 S 7 , have been prepared by the reaction of CS 2 with mixture of BaCO 3 and BaZrO 3 . The crystal structures of the compounds were refined on the powder X-ray diffraction data. The result showed that Ba 2 ZrS 4 [tetragonal, I 4/ mmm , a = 4.7852(1) A and c = 15.9641(3) A] crystallizes in the K 2 NiF 4 type structure, and Ba 3 Zr 2 S 7 [orthorhombic, Cccm , a = 7.0697(2) A, b = 25.4923(7) A and c = 7.0269(2) A] has a distorted variant of the X 3 Y 2 Z 7 type structure which is closely related to the perovskite structure.