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distribution maps obtained from the maximum entropy method (MEM) describe that 13.4 % of protons exist at inter-layer space. Proton diffusion constants were estimated as 1.9(1)×10 m/s at 393 K and 2.1(3)×10 m/s at 413 K respectively. The structural change corresponds to a rotational mode of SeO4 tetrahedra, which is led from the group theoretical analysis from R3m to C2/c. A diffusive spectrum was observed around 0 meV at the L-point (0.5 2 0) above TC as an over dumped phonon mode. The rotational mode of SeO4 tetrahedra drives the improper ferroelastic phase transition, and assists the disconnection and reconstruction of hydrogen bonds in the high temperature phase.

X-ray diffuse scattering and a local structure of (CH3)4NCdCl3(TMCC) and related compounds

X-ray diffuse scattering and a local structure of (CH₃)₄NCdCl₃(TMCC) and related compounds