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

Abstract

Barium titanium sulfide, BaxTiS3 (x = 1.00 - 1.05), has been prepared by the reaction of CS2 with a mixture of BaCO3 and TiO2. The X-ray powder diffraction and electron diffraction patterns show that the structure is a chain-type composite crystal similar to SrxTiS3 and BaxFe2S4. The structure consists of two interpenetrating cells, probably TiS3 and Ba cells, which have the parameter a in common, whereas the parameter c is different (c1 and c2 in a hexagonal setting). c1 shrinks with increasing Ba content, while c2 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, c1, and c2. 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.