Revisiting the cubic crystal structures of Sr4Nb2O9 and Sr5Nb2O10

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dc.contributor.authorLi, JYen_AU
dc.contributor.authorWang, CHen_AU
dc.contributor.authorWang, XMen_AU
dc.contributor.authorAvdeev, Men_AU
dc.contributor.authorLing, CDen_AU
dc.contributor.authorKennedy, BJen_AU
dc.date.accessioned2021-09-14T03:58:43Zen_AU
dc.date.available2021-09-14T03:58:43Zen_AU
dc.date.issued2021-11-01en_AU
dc.date.statistics2021-09-09en_AU
dc.description.abstractWe have synthesized polycrystalline and single crystal samples of Sr4Nb2O9 and Sr5Nb2O10 and revisited the crystal structure of the high-temperature cubic phase. By careful analysis of single-crystal X-ray diffraction (SXRD), powder synchrotron X-ray diffraction (Syn-PXRD) and powder neutron diffraction (PND) data, we arrive at a structure model in space group F4¯3m (#216), a subgroup of the reported Fm3¯m (#225) model. The F4¯3m model gives a better fit to the diffraction data, especially the PND data. We observed an interstitial oxide ion (O3) on the 48h site near the typical perovskite 24e site (O1), which gives a Td Nb–O symmetry rather than an Oh one as found in the Fm3¯m model. The temperature-dependent conductivities of Sr4Nb2O9 and Sr5Nb2O10 in dried O2 were studied using impedance spectroscopy. The activation energies of Sr4Nb2O9 and Sr5Nb2O10 were estimated to be 1.18(1) eV and 1.17(4) eV, respectively. This disordered crystallographic arrangement of the O1 and O3 anions is likely a key structural factor behind oxide ionic migration in Sr4Nb2O9 and Sr5Nb2O10. © 2021 Elsevier Inc.en_AU
dc.identifier.articlenumber122502en_AU
dc.identifier.citationLi, J.-Y., Wang, C.-H., Wang, X.-M., Avdeev, M., Ling, C. D., & Kennedy, B. J. (2021) Revisiting the cubic crystal structures of Sr4Nb2O9 and Sr5Nb2O10, Journal of Solid State Chemistry, 303, 122502. doi:10.1016/j.jssc.2021.122502en_AU
dc.identifier.issn0022-4596en_AU
dc.identifier.journaltitleJournal of Solid State Chemistryen_AU
dc.identifier.urihttps://doi.org/10.1016/j.jssc.2021.122502en_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/11708en_AU
dc.identifier.volume303en_AU
dc.language.isoenen_AU
dc.publisherElsevieren_AU
dc.subjectCrystal structureen_AU
dc.subjectElectric conductivityen_AU
dc.subjectX-ray diffractionen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectPerovskiteen_AU
dc.subjectTemperature dependenceen_AU
dc.subjectImpedanceen_AU
dc.subjectOxidesen_AU
dc.titleRevisiting the cubic crystal structures of Sr4Nb2O9 and Sr5Nb2O10en_AU
dc.typeJournal Articleen_AU
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