Superposition of M{sub 5}X{sub 5} superstructures and X-ray diffraction in TiO{sub 1.0} titanium monoxide
The interpretation of diffraction spectra of ordered high-temperature phases of solid solutions and strongly nonstoichiometric compounds is discussed. It has been shown that variations of the intensities of superstructure reflections, which cannot be explained within simple ordering models, can be due to the superposition of superstructures with different symmetries in the matrix of the basis crystal structure. Using an example of atom–vacancy ordering in TiO{sub 1.0} titanium monoxide, a model of the order–order transition state formed by the superposition of low-temperature monoclinic (space group A2/m (C2/m)) and high-temperature cubic (space group Pm3̅m) M{sub 5}X{sub 5} superstructures has been proposed. It has been shown that the transition state is thermodynamically equilibrium and should be implemented instead of the M{sub 5}X{sub 5} cubic superstructure. The transition state model can be considered as an M{sub (5–i)}X{sub (5–i)} superstructure (i = 1, 14/18, 11/18) with the monoclinic symmetry (space group P1m1).
- OSTI ID:
- 22756368
- Journal Information:
- Journal of Experimental and Theoretical Physics, Journal Name: Journal of Experimental and Theoretical Physics Journal Issue: 2 Vol. 125; ISSN JTPHES; ISSN 1063-7761
- Country of Publication:
- United States
- Language:
- English
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