Nanoscale ice-type structural fluctuation in spinel titanates

In the spinel titanate ${\mathrm{MgTi}}₂{\mathrm{O}}₄$, the tetragonal phase collapses upon substitution of a tiny amount of Mg ions at the Ti site, and the cubic phase with the geometrical frustration is resurrected. The atomic pair distribution function (PDF) and the extended x-ray absorption fine structure (EXAFS) reveal the nanoscale structural fluctuation, in which the Ti atomic displacement has the two-in two-out configuration in the cubic phase. We argue that the geometrical frustration plays an essential role in the collapse of the tetragonal phase and the resultant nanoscale ice-type structural fluctuation.