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Local disorder in proton conductor BaSn$$_{0.5}$$In$$_{0.5}$$O$$_{2.75}$$ analyzed by neutron diffraction/ atomic pair distribution function

Igawa, Naoki; Kodama, Katsuaki; Taguchi, Tomitsugu*; Yoshida, Yukihiko*; Matsukawa, Takeshi*; Hoshikawa, Akinori*; Ishigaki, Toru*

For the understanding of the crystal structural effect on the electrical properties, the local disorder in BaSn$$_{0.5}$$In$$_{0.5}$$O$$_{2.75}$$ which is one of the excellent proton conductors for solid oxide fuel cells was estimated by using the Atomic Pair Distribution Function (PDF) analysis method with the neutron diffraction. The local structure is almost the same as the average structure which was estimated by the Rietveld analysis using the cubic crystal structure (space group, $${it Pm}$$$$overline{3}$$$${it m}$$) in the atomic distance range of ${it r}$ $$>$$ 6${AA}$. The PDF profile was fitted better using the tetragonal crystal structure with the space group of ${it P}$4/${it mmm}$ than those with $${it Pm}$$$$overline{3}$$$${it m}$$ in the range ${it r}$ $$<$$ 6${AA}$. Those results indicate the presence of the local disorder in the lattice. In this work, the relationship between the average and local structures of BaSn$$_{0.5}$$In$$_{0.5}$$O$$_{2.75}$$ will be discussed.

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