Synthesis, structure, electrical properties and Na+ migration pathways of Na2CoP1.5As0.5O7

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dc.contributor.authorMarzouki, Ren_AU
dc.contributor.authorBen Smida, Yen_AU
dc.contributor.authorSonni, Men_AU
dc.contributor.authorAvdeev, Men_AU
dc.contributor.authorZid, MFen_AU
dc.date.accessioned2021-03-15T02:23:55Zen_AU
dc.date.available2021-03-15T02:23:55Zen_AU
dc.date.issued2020-05-01en_AU
dc.date.statistics2021-03-09en_AU
dc.description.abstractSodium cobalt di(phosphate/arsenate) Na2CoP1.5As0.5O7 has been synthesized as polycrystalline powder and single crystals by solid state reaction. The structure has been determined by X-ray diffraction at room temperature. The title material crystallizes in the tetragonal system, space group P42/mnm with the unit cell parameters: a = 7.764(3) Å, c = 10.385(3) Å, V = 626.0(4) Å3 and Z = 4. The two tools of crystal structure validation, Bond Valence Sum (BVS) and Charge distribution (CHARDI) methods, have confirmed the crystal structure model. The anionic framework is built of layers of corner sharing (P/As)O4 and CoO6 polyhedra. The sodium atoms are located in the interlayer space. Quantitative analysis using ICP-MS is used to confirm the elemental composition of the polycrystalline powder. Thermal analyzes show a phase transition at 675 °C before the melting point of 700 °C. The electrical properties of the title compound have been characterized by impedance spectroscopy in the 240°C–360 °C temperature range. At 240 °C, the conductivity value of the sample with relative density of 85% is 4 10−6 Scm−1 and the activation energy was Ea = 0.56 eV. The calculated conductivity corrected for porosity is σd (240°C) = 1.88 10−5 Scm−1. The Na+ transport pathways in the interlayer space was simulated using the Band Valence Site Energy (BVSE) model. The BVSE model was also used to explain the effect of the P/As substitution on the electrical properties of the title compound. © 2019 Elsevier Inc.en_AU
dc.identifier.articlenumber121058en_AU
dc.identifier.citationMarzouki, R., Ben Smida, Y., Sonni, M., Avdeev, M., & Zid, M. F. (2020). Synthesis, structure, electrical properties and Na+ migration pathways of Na2CoP1.5As0.5O7. Journal of Solid State Chemistry, 285, 121058. doi:10.1016/j.jssc.2019.121058en_AU
dc.identifier.issn0022-4596en_AU
dc.identifier.journaltitleJournal of Solid State Chemistryen_AU
dc.identifier.urihttps://doi.org/10.1016/j.jssc.2019.121058en_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/10535en_AU
dc.identifier.volume285en_AU
dc.language.isoenen_AU
dc.publisherElsevieren_AU
dc.subjectElectrical propertiesen_AU
dc.subjectX-ray diffractionen_AU
dc.subjectElectric impedanceen_AU
dc.subjectValenceen_AU
dc.subjectCrystal structureen_AU
dc.subjectSodiumen_AU
dc.subjectCobalten_AU
dc.subjectMonocrystalsen_AU
dc.titleSynthesis, structure, electrical properties and Na+ migration pathways of Na2CoP1.5As0.5O7en_AU
dc.typeJournal Articleen_AU
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