X-ray diffraction from nonstoichiometric titanium sulfide containing stacking faults

The structures of titanium sulfides The layer units appropriate to the analysis of titanium sulfide with stacking faults are considered. The layer units composed of one sulfur layer and one titanium layer are adopted for the structures whose stacking sequences are relatively simple. The layer units composed of two sulfur layers, one fully occupied titanium layer, half of a partly occupied titanium layer and half of another partly occupied titanium layer are adopted in the case of the more complex stacking sequences. The general method for obtaining the diffraction intensity distribution by matrices is modified so as to be suitable for the analysis based on these layer units, and examples of the calculated intensity curves are illustrated.