• The Korean Journal of Ceramics
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• v.6 no.4
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• pp.380-384
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• 2000

Crystal structure of $Ba_5-5X$Y$_10/3$Nb$_10$O$_30$ was tried to determine by Rietveld analysis using powder X-ray diffraction data. This compound has tetragonal tungsten bronze (TTB) structure with general formula, (Al)$_2$(A2)$_4$(B1)$_2$(B2)$_8$(O1)$_8$(O2)$_8$(O3)$_4$(O4)$_2$(O5)$_4$(O6)$_4$. However, it was difficult to determine the distribution of Ba and Y in Al and A2 sites by the analysis only. Combination of Rietveld analysis and site potentials calculation as well as lattice energy calculations helped to determine the distribution. As the result, it was clarified that $Ba^2+$ cations occupy A2 (pentagonal tunnel site) and $Y^3+$ cations occupy Al (cubic site). The distribution of cations at each site coincides with the distribution estimated by the difference of ionic radii. This supports the formation condition of TTB which was proposed in our previous report. $Ba_5-5X$Y$_10X/3$Nb$_10$O$_30$ shows ferroelectric characteristics. In this compound, remanent polarization decreases slightly with the composition X. On the other hand, the result of crystal structure determination reveals that atomic positions along c-axis for A1, A2, B1 and B2 cations are also decreased with the composition X. This would suggest that the dependence of remanent polarization on composition X is derived by the dependence of atomic coordinates on composition X.