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Updated: Jun 25, 2026

Synthesis and Reaction Chemistry of Nanosize Monosodium Titanate
Published on: February 23, 2016
Remarkable Structural Modifications of Tialite Solid Solutions Obtained by Different Methods
Kamil Kornaus1, Izabela Czekaj2, Natalia Sobuś2
1Faculty of Materials Science and Ceramics, AGH University of Science and Technology, 30-059 Krakow, Poland.
Abstract:
The structural changes occurring in tialite due to the formation of magnesium-titanate-aluminum-titanate solid solutions were determined. For this purpose, a DFT simulation of the structural changes was performed. The simulation proposed a number of possible atomic substitutions occurring in the elementary cells of the tialite, along with calculations of the lattice parameter changes in this material. Next, the actual changes occurring in the structure of the tialite due to the formation of solid solutions, obtained in different ways, were investigated. After comparing the obtained results, it was possible to confirm the mechanism of the formation of tialite solid solutions, through which one magnesium atom and one titanium atom substituted two aluminum atoms simultaneously. The results of this experimental work were confirmed by theoretical calculations (the differences in the values of the lattice parameters, measured in the experiment and calculated in the simulation, were less than 0.5%), through which changes in the lattice parameters with Mg and Ti substitution were observed.
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