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dc.contributor.authorGuo, Yuan-Yuan
dc.contributor.authorGibbs, Alexandra S.
dc.contributor.authorPerez-Mato, J. Manuel
dc.contributor.authorLightfoot, Philip
dc.date.accessioned2019-04-10T15:30:01Z
dc.date.available2019-04-10T15:30:01Z
dc.date.issued2019-05
dc.identifier258478241
dc.identifier2c09047e-b57d-456d-958e-d0adeb70c221
dc.identifier85065316194
dc.identifier000466861200011
dc.identifier.citationGuo , Y-Y , Gibbs , A S , Perez-Mato , J M & Lightfoot , P 2019 , ' Unexpected phase transition sequence in the ferroelectric Bi 4 Ti 3 O 12 ' , International Union of Crystallography Journal (IUCrJ) , vol. 6 , no. 3 , pp. 438-446 . https://doi.org/10.1107/S2052252519003804en
dc.identifier.issn2052-2525
dc.identifier.otherORCID: /0000-0001-7048-3982/work/59464494
dc.identifier.urihttps://hdl.handle.net/10023/17495
dc.descriptionAuthors thank Dr George Carins for experimental assistance. Y.-Y.G thanks the China Scholarships Council and the University of St Andrews for a studentship.en
dc.description.abstractThe high-temperature phase behaviour of the ferroelectric layered perovskite Bi4Ti3O12 has been re-examined by high-resolution powder neutron diffraction. Previous studies, both experimental and theoretical, had suggested conflicting structural models and phase transition sequences, exacerbated by the complex interplay of several competing structural instabilities. Here, we confirm that Bi4Ti3O12 undergoes two separate structural transitions from the aristotype tetragonal phase (space group I4/mmm) to the ambient temperature ferroelectric phase (confirmed as monoclinic, B1a1). An unusual, and previously unconsidered, intermediate paraelectric phase is suggested to exist above TC, with tetragonal symmetry, space group P4/mbm. This phase is peculiar in displaying a unique type of octahedral tilting, in which the triple perovskite blocks of the layered structure alternate between tilted and untilted. This is rationalised in terms of the bonding requirements of the Bi3+ cations within the perovskite blocks.
dc.format.extent9
dc.format.extent980357
dc.language.isoeng
dc.relation.ispartofInternational Union of Crystallography Journal (IUCrJ)en
dc.subjectPerovskiteen
dc.subjectFerroelectricen
dc.subjectPowder neutron diffractionen
dc.subjectQD Chemistryen
dc.subjectDASen
dc.subject.lccQDen
dc.titleUnexpected phase transition sequence in the ferroelectric Bi4Ti3O12en
dc.typeJournal articleen
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.contributor.institutionUniversity of St Andrews. EaSTCHEMen
dc.identifier.doi10.1107/S2052252519003804
dc.description.statusPeer revieweden


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