Average and local ordering of Yb2(Ti2-xYbx)O7-x/2 ‘stuffed’ pyrochlores: the development of a robust structural model

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dc.contributor.authorMullens, BGen_AU
dc.contributor.authorZhang, Zen_AU
dc.contributor.authorAvdeev, Men_AU
dc.contributor.authorBrand, HEAen_AU
dc.contributor.authorCowie, BCCen_AU
dc.contributor.authorD'Angelo, AMen_AU
dc.contributor.authorMúzquiz, MSen_AU
dc.contributor.authorKennedy, BJen_AU
dc.date.accessioned2021-09-07T02:17:28Zen_AU
dc.date.available2021-09-07T02:17:28Zen_AU
dc.date.issued2021-10-01en_AU
dc.date.statistics2021-09-07en_AU
dc.description.abstractThe long-range (average) and short-range (local) structures in the Yb2(Ti2-xYbx)O7-x/2 (x ​= ​0.00–0.67) series were studied using a combination of diffraction and spectroscopic techniques. The average structure, established from synchrotron X-ray and neutron powder diffraction data, shows the development of multiphase regions from x ​= ​0.134 and the formation of anti-site disorder from x ​= ​0.335. The local structure, established from X-ray absorption near-edge structure (XANES), shows a gradual evolution of short-range disorder. The crystal field splitting energy of the Ti4+ ions decreases from 2.15 to 1.91 ​eV with increasing Yb3+ content, reflecting the increase in coordination number from 6 to predominantly 7. Electrochemical impedance spectroscopic studies show an increase in oxygen ionic conductivity by almost a factor of 3 upon doping with small amounts of Yb3+ (x ​= ​0.067). These results imply that the disordering across the anion and cation sublattices are different and inducing small amounts of disorder into the pyrochlore structure may lead to applications in solid-oxide fuel cells. © 2021 Elsevier Inc.en_AU
dc.identifier.articlenumber122412en_AU
dc.identifier.citationMullens, B. G., Zhang, Z., Avdeev, M., Brand, H. E. A., Cowie, B. C. C., D'Angelo, A., Múzquiz, M. S., & Kennedy, B. J. (2021). Average and local ordering of Yb2(Ti2-xYbx)O7-x/2 ‘stuffed’ pyrochlores: the development of a robust structural model. Journal of Solid State Chemistry, 302, 122412. doi:10.1016/j.jssc.2021.122412en_AU
dc.identifier.issn0022-4596en_AU
dc.identifier.journaltitleJournal of Solid State Chemistryen_AU
dc.identifier.urihttps://doi.org/10.1016/j.jssc.2021.122412en_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/11613en_AU
dc.identifier.volume302en_AU
dc.language.isoenen_AU
dc.publisherElsevieren_AU
dc.subjectNeutron diffractionen_AU
dc.subjectX-ray diffractionen_AU
dc.subjectPyrochloreen_AU
dc.subjectCrystal structureen_AU
dc.subjectAbsorptionen_AU
dc.subjectOxygenen_AU
dc.titleAverage and local ordering of Yb2(Ti2-xYbx)O7-x/2 ‘stuffed’ pyrochlores: the development of a robust structural modelen_AU
dc.typeJournal Articleen_AU
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