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Title: Five-Dimensional Incommensurate Structure of the Melilite Electrolyte [CaNd]2[Ga]2[Ga2O7]2
Authors: Wei, Fengxia
Baikie, Tom
An, Tao
Schreyer, Martin
Kloc, Christian
White, Timothy John
Keywords: Transmission electron microscopy
Issue Date: 2011
Source: Wei, 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.
Series/Report no.: Journal of the American Chemical Society
Abstract: Melilite-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.
ISSN: 0002-7863
DOI: 10.1021/ja206441x
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: [].
Fulltext Permission: open
Fulltext Availability: With Fulltext
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