Abstract
A new class of defect structures has been proposed, in which point defects of the crystal lattice occupy the sites of two different superstructures simultaneously. The formation of these structural modifications is due to the order‐order equilibrium phase transition of the second order that does not proceed completely. Using atomic‐vacancy ordering in titanium monoxide TiO1.0 as an example, we have studied the permissible ratio between the long‐range order parameters in the structural modification formed by a combination of monoclinic M5X5(mon) (space group C2/m (A2/m)) and cubic M5X5(cub) (space group ) superstructures. With the use of thermodynamic calculations it was shown that the proposed structural modification is equilibrium and should exist instead of the supposed high‐temperature cubic phase Ti5O5(cub).
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