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  • On the mechanism of proton ...
    Boysen, Hans; Lerch, Martin; Fernandez-Alonso, Felix; Krzystyniak, Matthew; Lalowicz, Zdzislaw T.; Aris Chatzidimitriou-Dreismann, C.; Tovar, Michael

    The Journal of physics and chemistry of solids, July 2012, 2012-7-00, 20120701, Letnik: 73, Številka: 7
    Journal Article

    Pyrochlore-type H3OSbTeO6 is a remarkable proton conductor exhibiting an outstanding electrical conductivity even at ambient temperature. It consists of a three-dimensional interconnected (Sb,Te)O6 framework, built from randomly distributed corner-shared SbO6 and TeO6 octahedra, forming large cages in which the H3O+ ions are located. The dynamics of the caged species has been investigated by temperature-dependent neutron diffraction, quasielastic neutron scattering, and NMR experiments. Three types of motion may be discerned, namely, stochastic rotations of the H3O group around its 3-fold axis, jumps between four equivalent positions within the cage, and long-range inter-cage translational diffusion. The onset of ionic conductivity is clearly reflected by structural changes. Details of the complex diffusion mechanism are given. ► H3OSbTeO6 is an outstanding proton conductor. ► We investigated the dynamics of the caged hydronium ions as a function of temperature. ► Onset of proton conductivity is reflected by structural changes. ► A complex diffusion mechanism is observed.