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Cationic rearrangement is a compelling strategy for producing desirable physical properties by atomic-scale manipulation. However, activating ionic diffusion typically requires high temperature, and in some cases also high pressure in bulk oxide materials. Herein, we present the cationic rearrangement in bulk Mn2FeMoO6 at unparalleled low temperatures of 150-300 oC. The irreversible ionic motion at ambient pressure, as evidenced by real-time powder synchrotron X-ray and neutron diffraction, and second harmonic generation, leads to a transition from a Ni3TeO6-type to an ordered-ilmenite structure, and dramatic changes of the electrical and magnetic properties. This work demonstrates a remarkable cationic rearrangement, with corresponding large changes in the physical properties in a bulk oxide at unprecedented low temperatures. [ABSTRACT FROM AUTHOR]

The frontpiece of the journal is presented depicting cationic rearrangement in metal oxide.

Polar oxides are technically of great interest but difficult to prepare. Our recent discoveries predicted that polar oxides can be synthesized in the corundum-derivative A2BB'O6 family with unusually small cations at the A-site and a d0 electron configuration ion at B'-site. When magnetic transition-metal ions are incorporated more interesting polar magnetic oxides can form. In this work we experimentally verified this prediction and prepared LiNbO3 (LN)-type polar magnetic Zn2FeTaO6 via high pressure and temperature synthesis. The crystal structure analysis indicates highly distorted ZnO6 and (Fe/ Ta)O6 octahedra, and an estimated spontaneous polarization (Ps) of ∼50 pC/cm2 along the oaxis was obtained from point charge model calculations. Zn2Fe3+Ta5+O6 has a lower magnetic transition temperature (TN ∼ 22 K) than the Mn2FeTaO6 analogue but is less conductive. The dielectric and polarization measurements indicate a potentially switchable component. [ABSTRACT FROM AUTHOR]