A new n = 4 layered Ruddlesden–Popper phase K2.5Bi2.5Ti4O13 showing stoichiometric hydration

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dc.contributor.authorLiu, Sen_AU
dc.contributor.authorAvdeev, Men_AU
dc.contributor.authorLiu, Yen_AU
dc.contributor.authorJohnson, MRen_AU
dc.contributor.authorLing, CDen_AU
dc.date.accessioned2021-02-03T23:46:53Zen_AU
dc.date.available2021-02-03T23:46:53Zen_AU
dc.date.issued2016-01-22en_AU
dc.date.statistics2021-01-19en_AU
dc.description.abstractA new bismuth-containing layered perovskite of the Ruddlesden–Popper type, K2.5Bi2.5Ti4O13, has been prepared by solid-state synthesis. It has been shown to hydrate to form stoichiometric K2.5Bi2.5Ti4O13·H2O. Diffraction data show that the structure consists of a quadruple-stacked (n = 4) perovskite layer, with potassium ions occupying the rock salt layer and its next-nearest A site. The hydrated sample was shown to remove the offset between stacked perovskite layers relative to the dehydrated sample. Computational methods show that the hydrated phase consists of intact H2O molecules in a vertical “pillared” arrangement bridging across the interlayer space. Rotations of H2O molecules about the c axis were evident in molecular dynamic calculations, which increased in rotation angle with increasing temperature. In situ diffraction data for the dehydrated phase point to a broad structural phase transition from orthorhombic to tetragonal at ∼600 °C. The relative bismuth-rich composition in the perovskite block results in a higher transition temperature compared to related perovskite structures. Water makes a significant contribution to the dielectric constant, which disappears after dehydration. © 2016 American Chemical Societyen_AU
dc.identifier.citationLiu, S., Avdeev, M., Liu, Y., Johnson, M. R., & Ling, C. D. (2016). A new n = 4 layered Ruddlesden–Popper phase K2.5Bi2.5Ti4O13 showing stoichiometric hydration. Inorganic Chemistry, 55(4), 1403–1411. doi:10.1021/acs.inorgchem.5b01913en_AU
dc.identifier.issn1520-510Xen_AU
dc.identifier.issue4en_AU
dc.identifier.journaltitleInorganic Chemistryen_AU
dc.identifier.pagination1403-1411en_AU
dc.identifier.urihttps://doi.org/10.1021/acs.inorgchem.5b01913en_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/10302en_AU
dc.identifier.volume55en_AU
dc.language.isoenen_AU
dc.publisherAmerican Chemical Societyen_AU
dc.subjectPerovskitesen_AU
dc.subjectPhase transformationsen_AU
dc.subjectPotassiumen_AU
dc.subjectLayersen_AU
dc.subjectMoleculesen_AU
dc.subjectBismuthen_AU
dc.subjectOrthorhombic latticesen_AU
dc.subjectPermittivityen_AU
dc.subjectDiffractionen_AU
dc.titleA new n = 4 layered Ruddlesden–Popper phase K2.5Bi2.5Ti4O13 showing stoichiometric hydrationen_AU
dc.typeJournal Articleen_AU
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