The literature data including also the results of our research on new unique class of functional materials named topological insulators (TI) based on metal chalcogenides from the point of  view of physic-chemical analysis and crystalochemistry are systematized. Large attention was given to works on phase diagrams of appropriate systems and crystal structure of main types of TI. It was shown, that for search and design new phases with TI properties is necessary to review earlier constructed phase diagrams of number of systems, in particular the B^V–Se(Te) and A^IV–B^V–Te (A^IV – Ge, Sn, Pb; B^V – Sb, Bi) by means of new approach and methodic for investigation of their phase diagrams. Systematic investigation more complicated systems based on known binary and ternary TI is also important.