Abstract
The crystal structure of Zr 0.8Sn 0.2TiO 4 has been investigated using extended X-ray absorption fine structure (EXAFS) spcctroscopy, neutron powder diffraction and Raman spectroscopy techniques. It possesses an orthorhombic α-PbO 2; type structure [space group Pbcn]. EXAFS spectroscopy reveals that its zirconium ions possess 8-fold coordination as noted in Zr 5Ti 7O 24, while its tin ions possess 6-fold coordination. X-ray diffraction and EXAFS results indicate that Zr 0.8Sn 0.2TiO 4 exists in a structural state between that of high-temperature ZrTiO 4 and Zr 5Ti 7O 24. Consistent with the EXAFS interpretation, an empirical analysis of the Raman spectra indicates that the tin ions prefer to be on titanium sites. A superstructure is observed in Zr 0.8Sn 0.2TiO 4 which is caused by the non-stoichiometric nature of the sample. A small concentration of tin ions are probably in the reduced Sn 2+ state, creating defects which undergo short-range ordering in the crystal.
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