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Rattling Behavior in a Simple Perovskite NaWO3



Yuya Ikeuchi, Hiroshi Takatsu, Cedric Tassel, Craig Brown, Taito Murakami, Yuki Matsumoto, Yoshihiko Okamoto, Hiroshi Kageyama


A high-pressure reaction has allowed the preparation of stoichiometric tungsten bronze NaWO3 (Im-3). Specific heat (C;/T3 vs T) exhibits a round peak at 30 K, indicating anharmonic phonon modes associated with low-energy rattling vibrations. Structural analysis revealed that the presence of distinct crystallographic Nal (2a) and Na2 (6b)sites accompanied by three in-phase WO6 octahedral (a+a+a+) rotations generates an open space of 0.496 angstrom}, which is as large as those of well-known clathrates and filled skutterudites. The observed rattling in NaWO3 is distinct from a 1:3 ordered quadruple perovskite AA'3B4O12 (A, A': transition metals) where the A (2a) site with lower multiplicity is the rattler. The present study offers a general guide to induce rattling phenomena in pristine perovskite compounds. The high-pressure strategy also yielded LixWO3 of the LiNbO3-type structure, offering a possibility to tune d-electron count with Li-content (0.5less than or equal to}xless than or equal to}1).
Inorganic Chemistry


High-pressure Chemistry, Perovskite phases, Rattling, Tungsten bronze, neutron diffraction


Ikeuchi, Y. , Takatsu, H. , Tassel, C. , Brown, C. , Murakami, T. , Matsumoto, Y. , Okamoto, Y. and Kageyama, H. (2019), Rattling Behavior in a Simple Perovskite NaWO<sub>3</sub>, Inorganic Chemistry, [online], (Accessed May 20, 2024)


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Created April 30, 2019, Updated October 12, 2021