Г 96 Гусев, А. И. Сверхструктуры Ti2O5 кубического монооксида титана / А. И. Гусев // Журнал экспериментальной и теоретической физики. - 2013. - Т. 144, № 2. - С. 340-357 : ил. - Библиогр.: с. 356-357 (40 назв.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): МОНООКСИД ТИТАНА -- НЕСТЕХИОМЕТРИЯ Аннотация: A cubic model is proposed for the Ti5O5 (Ti5 O5 ≡ Ti90 18O90 18) superstructure of nonsto ichiometric titanium monoxide TixOz with double imperfection. The unit cell of the cubic Ti5O5 superstruc ture has the threefold lattice parameter of the unit cell of the basis disordered B1 structure of TixOz monoxide and belongs to space group Pm m. The channel of the disorder–order transition, i.e., TixOz (space groupFm m)–Ti5O5 (space group Pm m), includes 75 superstructure vectors of seven stars {k10}, {k7}, {k6(1)}, {k6(2)}, {k4(1)}, {k4(2)}, and {k1}. The distribution functions of Ti and O atoms over the sites of the cubic Ti5O5 superstructure are calculated. A comparison of the X ray and electron diffraction data obtained for ordered TiO1.087 monoxide with the theoretical simulation results supports the existence of the cubic Ti5O5 super structure. The cubic (space group Pm m) Ti5O5 superstructure is shown to be a high temperature structure relative to the well known monoclinic (space group C2/m) superstructure of the same type |