Intercalation route to complex perovskites AM0.2Ta0.8O2.8N0.2 (A = Sr, Ba; M = Li, Na): neutron diffraction and nuclear magnetic resonance study

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dc.contributor.authorKim, YIen_AU
dc.contributor.authorPaik, Yen_AU
dc.contributor.authorAvdeev, Men_AU
dc.date.accessioned2021-02-04T01:27:32Zen_AU
dc.date.available2021-02-04T01:27:32Zen_AU
dc.date.issued2014-12-03en_AU
dc.date.statistics2021-01-12en_AU
dc.description.abstractOxynitride-type complex perovskites, AM0.2Ta0.8O2.8N0.2 (A = Sr, Ba; M = Li, Na), were synthesized by the ammonolytic heating of a layered perovskite, A5Ta4O15, with 0.5M2CO3. A Rietveld refinement of the synchrotron X-ray and neutron powder diffraction patterns confirmed the complete structural transformation from a hexagonal layered-perovskite to a three-dimensional perovskite type, as well as the stabilization of alkali cations on the octahedral sites rather than on the dodecahedral sites in the latter. In all four compounds, M+ and Ta5+ were disordered completely despite a charge difference as much as 4. The crystal symmetry of the average structure depended on the size of the dodecahedral cation: simple cubic for BaM0.2Ta0.8O2.8N0.2 and body-centered tetragonal for SrM0.2Ta0.8O2.8N0.2. This trend coincides with the symmetry transition from BaTaO2N (Pm3̅m) to SrTaO2N (I4/mcm). In both SrM0.2Ta0.8O2.8N0.2, nitrogen atoms preferentially occupied the c-axial 4a site of the tetragonal cell. Solid state magic angle spinning nuclear magnetic resonance spectroscopy showed that SrNa0.2Ta0.8O2.8N0.2 and BaNa0.2Ta0.8O2.8N0.2 exhibited marked downfield shifts of 23Na, manifesting an octahedral coordination. On the other hand, the 7Li NMR of SrLi0.2Ta0.8O2.8N0.2 and BaLi0.2Ta0.8O2.8N0.2 indicated a highly symmetrical coordination environment of Li. © 2014 American Chemical Societyen_AU
dc.identifier.citationKim, Y.-I., Paik, Y., & Avdeev, M. (2015). Intercalation route to complex perovskites AM0.2Ta0.8O2.8N0.2 (A = Sr, Ba; M = Li, Na): Neutron diffraction and nuclear magnetic resonance study. Crystal Growth & Design, 15(1), 53–61. doi:10.1021/cg500739sen_AU
dc.identifier.issn1528-7505en_AU
dc.identifier.issue1en_AU
dc.identifier.journaltitleCrystal Growth & Designen_AU
dc.identifier.pagination53-61en_AU
dc.identifier.urihttps://doi.org/10.1021/cg500739sen_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/10316en_AU
dc.identifier.volume15en_AU
dc.language.isoenen_AU
dc.publisherAmerican Chemical Societyen_AU
dc.subjectOxidesen_AU
dc.subjectMultigroup theoryen_AU
dc.subjectPerovskitesen_AU
dc.subjectX-ray diffractionen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectNuclear magnetic resonanceen_AU
dc.titleIntercalation route to complex perovskites AM0.2Ta0.8O2.8N0.2 (A = Sr, Ba; M = Li, Na): neutron diffraction and nuclear magnetic resonance studyen_AU
dc.typeJournal Articleen_AU
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