Crystal structure and optical property of complex perovskite oxynitrides ALi0.2Nb0.8O2.8N0.2, ANa0.2Nb0.8O2.8N0.2, and AMg0.2Nb0.8O2.6N0.4 (A = Sr, Ba)

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dc.contributor.authorMoon, KHen_AU
dc.contributor.authorAvdeev, Men_AU
dc.contributor.authorKim, YIen_AU
dc.date.accessioned2021-06-03T01:59:00Zen_AU
dc.date.available2021-06-03T01:59:00Zen_AU
dc.date.issued2017-10-01en_AU
dc.date.statistics2021-05-31en_AU
dc.description.abstractOxynitride type complex perovskites AM0.2Nb0.8O3−xNx (A = Sr, Ba; M = Li, Na, Mg) were newly synthesized by the solid state diffusion of Li+, Na+, or Mg2+ into the layered oxide, A5Nb4O15, with concurrent O/N substitution. Neutron and synchrotron X-ray Rietveld refinement showed that SrLi0.2Nb0.8O2.8N0.2, SrNa0.2Nb0.8O2.8N0.2, and SrMg0.2Nb0.8O2.6N0.4 had body-centered tetragonal symmetry (I4/mcm), while those with A = Ba had simple cubic symmetry (Pm ̅ m). In the tetragonal Sr-compounds, the nitrogen atoms were localized on the c-axial 4a site. However, the octahedral cations, M/Nb (M = Li, Na, Mg) were distributed randomly in all six compounds. The lattice volume of AM0.2Nb0.8O3−xNx was dependent on various factors including the type of A and the electronegativity of M. Compared to the simple perovskites, ANbO2N (A = Sr, Ba), AM0.2Nb0.8O3−xNx had wider band gaps (1.76–2.15 eV for A = Sr and 1.65–2.10 eV for A = Ba), but significantly lower sub-gap absorption. © 2017 Elsevier Inc.en_AU
dc.identifier.citationMoon, K. H., Avdeev, M., & Kim, Y.-I. (2017). Crystal structure and optical property of complex perovskite oxynitrides ALi0.2Nb0.8O2.8N0.2, ANa0.2Nb0.8O2.8N0.2, and AMg0.2Nb0.8O2.6N0.4 (A = Sr, Ba). Journal of Solid State Chemistry, 254, 1-8. doi:10.1016/j.jssc.2017.07.006en_AU
dc.identifier.issn0022-4596en_AU
dc.identifier.journaltitleJournal of Solid State Chemistryen_AU
dc.identifier.pagination1-8en_AU
dc.identifier.urihttps://doi.org/10.1016/j.jssc.2017.07.006en_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/10805en_AU
dc.identifier.volume254en_AU
dc.language.isoenen_AU
dc.publisherElsevieren_AU
dc.subjectCrystal structureen_AU
dc.subjectPerovskitesen_AU
dc.subjectBand theoryen_AU
dc.subjectDiffusionen_AU
dc.subjectAbsorptionen_AU
dc.subjectCationsen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectX-ray diffractionen_AU
dc.titleCrystal structure and optical property of complex perovskite oxynitrides ALi0.2Nb0.8O2.8N0.2, ANa0.2Nb0.8O2.8N0.2, and AMg0.2Nb0.8O2.6N0.4 (A = Sr, Ba)en_AU
dc.typeJournal Articleen_AU
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