Distribution of Vacancies in a Hybrid M(5–11/18)X(5–11/18) Superstructure of a High-Temperature Ordered β-TiO Phase


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A new structural model of the high-temperature ordered β-TiO phase of titanium monoxide with vacancies in metallic and nonmetallic sublattices has been proposed. The model suggests that the vacancies are simultaneously distributed over sites of two partially disordered superstructures: monoclinic M5X5(mon) (space group C2/m (A2/m)) and cubic M5X5(cub) (space group Pm\(\overline 3 \)m). The hybrid superstructure belongs to space group P1m1 of the monoclinic system. The proposed notation M(5–11/18)X(5–11/18) of the hybrid superstructure takes into account an expansion of the vacancy sublattice due to the superposition of initial \({M_5}{X_{{5^ - }}}\) type superstructures. It is shown that the arrangements of the superstructure reflections in the diffraction spectra of the M(5–11/18)X(5–11/18) and M5X5(cub) superstructures are identical.

作者简介

M. Kostenko

Institute of Solid-State Chemistry

Email: rempel@ihim.uran.ru
俄罗斯联邦, ul. Pervomaiskaya 91, Yekaterinburg, 620990

A. Rempel

Institute of Solid-State Chemistry

编辑信件的主要联系方式.
Email: rempel@ihim.uran.ru
俄罗斯联邦, ul. Pervomaiskaya 91, Yekaterinburg, 620990

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