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dc.contributor.authorDixon, Charlotte A. L.
dc.contributor.authorLightfoot, Philip
dc.identifier.citationDixon , C A L & Lightfoot , P 2018 , ' Complex octahedral tilt phases in the ferroelectric perovskite system Li x Na 1–x NbO 3 ' , Physical Review. B, Condensed matter and materials physics , vol. 97 , no. 22 .
dc.identifier.otherPURE: 253279081
dc.identifier.otherPURE UUID: 39f783c2-3cc2-46a6-914b-823e55f7070f
dc.identifier.otherScopus: 85049372639
dc.identifier.otherWOS: 000435806400001
dc.descriptionWe thank STFC for provision of neutron diffraction facilities at ISIS and Dr Aziz Daoud-Aladine for experimental assistance. CALD was supported by an EPSRC DTA studentship (EP/L50579/1).en
dc.description.abstractHigh-temperature phase behavior in the system LixNa1−xNbO3 has been studied by using high-resolution neutron powder diffraction. Each of the three compositions studied in the Na-rich part of the phase diagram (viz., x=0.03,0.08, and 0.12) shows evidence for distinct and complex structural modulations based on different tilting schemes of NbO6 octahedral units. Whilst octahedral tilting is prevalent in the structural chemistry of perovskites the details of the long-range tilt phases are distinct from those previously observed in NaNbO3 itself. A phase with a well-defined fourfold superlattice is observed for the composition Li0.12Na0.88NbO3, and yet more complex phases with modulations based on 20-fold and 30-fold repeats are observed for Li0.03Na0.97NbO3 and Li0.08Na0.92NbO3, respectively. This peculiar structural frustration makes the system LixNa1−xNbO3 a most structurally complex “simple” perovskite.
dc.relation.ispartofPhysical Review. B, Condensed matter and materials physicsen
dc.rights© 2018 American Physical Society. This work has been made available online in accordance with the publisher’s policies. This is the author created, accepted version manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at
dc.subjectQC Physicsen
dc.subjectQD Chemistryen
dc.titleComplex octahedral tilt phases in the ferroelectric perovskite system LixNa1–xNbO3en
dc.typeJournal itemen
dc.contributor.institutionUniversity of St Andrews.EaSTCHEMen
dc.contributor.institutionUniversity of St Andrews.School of Chemistryen
dc.description.statusPeer revieweden

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