Incommensurate Modulated Structures in the Ta2O5-Al2O3 System

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dc.contributor.authorSchmid, Sen_AU
dc.contributor.authorFung, Ven_AU
dc.date.accessioned2014-04-17T05:18:19Zen_AU
dc.date.available2014-04-17T05:18:19Zen_AU
dc.date.issued2012-01-01en_AU
dc.date.statistics2014-04-17en_AU
dc.description.abstractMembers of the (1 - x)Ta2O5 center dot xAl(2)O(3) series were synthesized, and the structures investigated using synchrotron X-ray powder diffraction and neutron powder diffraction data for the first time. Structural models were developed and refined using the Rietveld method and a [3 + 1] dimensional incommensurately modulated composite structure approach with a composition dependent modulation vector q, and superspace group Xmmm(0 beta 0)s00. Displacive atomic modulation functions across the (1 - x)Ta(2)O(5 center dot)xAl(2)O(3) series were found to be very similar, and strongly resemble those for the Ta2O5-WO3 system, in line with the notion that there are structure types in higher dimensional space just as there are in 3D space. Bond valence sum calculations and bond distance plots showed that the introduction of the modulation to the structural model generally led to more favourable bond valence sum values and bond distances. Fourier difference plots were examined, and the occupational modulation of aluminium refined to determine that the aluminium atoms preferentially occupy the octahedral sites. © 2012, CSIRO Publishing.en_AU
dc.identifier.citationSchmid, S., & Fung, V. (2012). Incommensurate Modulated Structures in the Ta2O5-Al2O3 System. Australian Journal of Chemistry, 65(7), 851-859. doi:10.1071/CH12080en_AU
dc.identifier.govdoc4628en_AU
dc.identifier.issn0004-9425en_AU
dc.identifier.issue7en_AU
dc.identifier.journaltitleAustralian Journal of Chemistryen_AU
dc.identifier.pagination851-859en_AU
dc.identifier.urihttp://dx.doi.org/10.1071/CH12080en_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/5451en_AU
dc.identifier.volume65en_AU
dc.language.isoenen_AU
dc.publisherCSIRO Publishingen_AU
dc.subjectChemistryen_AU
dc.subjectCrystalsen_AU
dc.subjectTantalumen_AU
dc.subjectOxidesen_AU
dc.subjectSolid solutionsen_AU
dc.subjectDiffractionen_AU
dc.titleIncommensurate Modulated Structures in the Ta2O5-Al2O3 Systemen_AU
dc.typeJournal Articleen_AU
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