Tetragonal YBaFe4O7.0: A stoichiometric polymorph of the "114" ferrite family

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dc.contributor.authorDuffort, Ven_AU
dc.contributor.authorCaignaert, Ven_AU
dc.contributor.authorPralong, Ven_AU
dc.contributor.authorBarrier, Nen_AU
dc.contributor.authorRaveau, Ben_AU
dc.contributor.authorAvdeev, Men_AU
dc.contributor.authorZheng, Hen_AU
dc.contributor.authorMitchell, JFen_AU
dc.date.accessioned2014-11-06T01:33:54Zen_AU
dc.date.available2014-11-06T01:33:54Zen_AU
dc.date.issued2012-07-01en_AU
dc.date.statistics2014-11-06en_AU
dc.description.abstractThe exploration of the phase diagram of the ferrite YBaFe(4)O(7+delta) versus the oxygen content delta and temperature shows the complex crystal chemistry of this system. Besides the cubic form (F (4) over bar 3m), which is observed up to 600 degrees C and for 0 < delta <= 0.65, a stoichiometric tetragonal form (delta= 0) is isolated below 300 degrees C that is stable only in the absence of oxidizing atmosphere. The resolution of the structure of this new YBaFe(4)O(7.0) form, from combined neutron and synchrotron data, in the space group I<(4)over bar>, shows significant displacements of the atoms with respect to the cubic form, especially concerning the oxygen atoms surrounding the barium cations. The decrease of several Ba-O distances around the under-bonded barium cations is explained by the existence of hybridized Ba((2-delta)+) -O(2-) -Fe((2+delta)+) bonds, in agreement with Mossbauer spectroscopy. The role of coulombic repulsions in the [Fe(4)O] and [Fe(4)] tetrahedra of the [Fe(4)](infinity) sublattice on the structural transition is also discussed. © 2012, Elsevier Ltd.en_AU
dc.identifier.citationDuffort, V., Caignaert, V., Pralong, V., Barrier, N., Raveau, B., Avdeev, M., Zheng, H., & Mitchell, J. F. (2012). Tetragonal YBaFe4O7.0: A stoichiometric polymorph of the "114" ferrite family. Journal of Solid State Chemistry, 191, 225-231. doi:10.1016/j.jssc.2012.03.024en_AU
dc.identifier.govdoc4660en_AU
dc.identifier.issn0022-4596en_AU
dc.identifier.journaltitleJournal of Solid State Chemistryen_AU
dc.identifier.pagination225-231en_AU
dc.identifier.urihttp://dx.doi.org/10.1016/j.jssc.2012.03.024en_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/6016en_AU
dc.identifier.volume191en_AU
dc.language.isoenen_AU
dc.publisherElsevieren_AU
dc.subjectIron oxidesen_AU
dc.subjectFerrimagnetic materialsen_AU
dc.subjectFerritesen_AU
dc.subjectMagnetic propertiesen_AU
dc.subjectPowdersen_AU
dc.subjectDiffractionen_AU
dc.titleTetragonal YBaFe4O7.0: A stoichiometric polymorph of the "114" ferrite familyen_AU
dc.typeJournal Articleen_AU
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