Preparation of a Chain-Type Composite Crystal, BaxTiS3 (x = 1.00 - 1.05)

Abstract Barium titanium sulfide, Ba x TiS 3 (x = 1.00 - 1.05), has been prepared by the reaction of CS 2 with a mixture of BaCO 3 and TiO 2 . The X-ray powder diffraction and electron diffraction patterns show that the structure is a chain-type composite crystal similar to Sr x TiS 3 and Ba x Fe 2 S 4 . The structure consists of two interpenetrating cells, probably TiS 3 and Ba cells, which have the parameter a in common, whereas the parameter c is different ( c 1 and c 2 in a hexagonal setting). c 1 shrinks with increasing Ba content, while c 2 expands. The electron diffraction spots and the Xray powder diffraction peaks cannot be indexed because of an incommensurate structure; they were, therefore, indexed based on a four-dimensional formalism using the parameters a , c 1 , and c 2 . In the expression of the four-dimensional formalism, this sulfide is represented by a single structure with a homogeneity range of x = 1.00 - 1.05.