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dc.contributor.authorWei, Fengxiaen
dc.contributor.authorBaikie, Tomen
dc.contributor.authorAn, Taoen
dc.contributor.authorSchreyer, Martinen
dc.contributor.authorKloc, Christianen
dc.contributor.authorWhite, Timothy Johnen
dc.identifier.citationWei, F., Baikie, T., An, T., Schreyer, M., Kloc, C., & White, T. J. (2011). Five-Dimensional Incommensurate Structure of the Melilite Electrolyte [CaNd]2[Ga]2[Ga2O7]2. Journal of the American Chemical Society, 133(38), 15200-15211.en
dc.description.abstractMelilite-type gallium oxides are potential intermediate temperature electrolytes for solid oxide fuel cells. Single crystals of [CaNd]2[Ga]2[Ga2O7]2 grown using an optical floating zone furnace have been investigated using transmission electron microscopy and powder and single-crystal X-ray diffraction. The anion array topologically conforms to a [(,] network that contains distorted pentagonal tunnels. The distortion is necessary to achieve space filling and accommodate structural misfit between the layers. Satisfactory bond lengths and angles are obtained through two-dimensional modulation in the tetragonal based plane, leading to five-dimensional symmetry in the superspace group P4̅21m(α,α,0)00s(α̅a̅,a,0)000, α = 0.2319(2), with modulation vectors q1 = α(a* + b*) and q2 = α(−a* + b*). Both displacive and occupational modulations are found. Through this mechanism, melilites are primed to accommodate mobile oxygen interstitials, suggesting a rational approach to crystallochemical tailoring that will enhance ionic diffusion and optimize electrolyte performance.en
dc.description.sponsorshipMOE (Min. of Education, S’pore)en
dc.format.extent37 p.en
dc.relation.ispartofseriesJournal of the American Chemical Societyen
dc.rights© 2011 American Chemical Society. This is the author created version of a work that has been peer reviewed and accepted for publication by Journal of the American Chemical Society, American Chemical Society. It incorporates referee’s comments but changes resulting from the publishing process, such as copyediting, structural formatting, may not be reflected in this document. The published version is available at: [].en
dc.subjectTransmission electron microscopyen
dc.titleFive-Dimensional Incommensurate Structure of the Melilite Electrolyte [CaNd]2[Ga]2[Ga2O7]2en
dc.typeJournal Articleen
dc.contributor.schoolSchool of Materials Science & Engineeringen
dc.description.versionAccepted versionen
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