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  An unusual high-spin ground state of Co3+ in octahedral coordination in brownmillerite-type cobalt oxide

Istomin, S. Y., Tyablikov, O. A., Kazakov, S. M., Antipov, E. V., Kurbakov, A. I., Tsirlin, A. A., et al. (2015). An unusual high-spin ground state of Co3+ in octahedral coordination in brownmillerite-type cobalt oxide. Dalton Transactions, 44(23), 10708-10713. doi:10.1039/c4dt03670k.

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 Urheber:
Istomin, S. Ya.1, Autor
Tyablikov, O. A.1, Autor
Kazakov, S. M.1, Autor
Antipov, E. V.1, Autor
Kurbakov, A. I.1, Autor
Tsirlin, A. A.2, Autor           
Hollmann, N.3, Autor           
Chin, Y. Y.4, Autor           
Lin, H.-J.1, Autor
Chen, C. T.1, Autor
Tanaka, A.1, Autor
Tjeng, L. H.5, Autor           
Hu, Z.6, Autor           
Affiliations:
1External Organizations, ou_persistent22              
2Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
3Nils Hollmann, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863456              
4Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863404              
5Liu Hao Tjeng, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863452              
6Zhiwei Hu, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863461              

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Schlagwörter: TEMPERATURE THERMAL-EXPANSION; TRANSPORT-PROPERTIES; MAGNETIC-PROPERTIES; PHASE-TRANSITIONS; FUEL-CELLS; CRYSTALChemistry;
 Zusammenfassung: The crystal and magnetic structures of brownmillerite-like Sr2Co1.2Ga0.8O5 with a stable Co3+ oxidation state at both octahedral and tetrahedral sites are refined using neutron powder diffraction data collected at 2 K (S. G. Icmm, a = 5.6148(6) angstrom, b = 15.702(2) angstrom, c = 5.4543(6) angstrom; R-wp = 0.0339, R-p = 0.0443, chi(2) = 0.775). The very large tetragonal distortion of Co-O-6 octahedra (1.9591(4) angstrom for Co-O-eq and 2.257(6) angstrom for Co-O-ax) could be beneficial for the stabilization of the long-sought intermediate-spin state of Co3+ in perovskite-type oxides. However, the large magnetic moment of octahedral Co3+ (3.82(7)mu(B)) indicates the conventional high-spin state of Co3+ ions, which is further supported by the results of a combined theoretical and experimental soft X-ray absorption spectroscopy study at the Co-L-2,L-3 edges on Sr2Co1.2Ga0.8O5. A high-spin ground state of Co3+ in Sr2Co1.2Ga0.8O5 resulted in much lower in comparison with a LaCoO3 linear thermal expansion coefficient of 13.1 ppm K-1 (298-1073 K) determined from high-temperature X-ray powder diffraction data collected in air.

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Sprache(n): eng - English
 Datum: 2015-03-26
 Publikationsstatus: Erschienen
 Seiten: 6
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: -
 Identifikatoren: ISI: 000355701000020
DOI: 10.1039/c4dt03670k
 Art des Abschluß: -

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Titel: Dalton Transactions
  Andere : Dalton Trans.
Genre der Quelle: Zeitschrift
 Urheber:
Affiliations:
Ort, Verlag, Ausgabe: Cambridge, UK : Royal Society of Chemistry
Seiten: - Band / Heft: 44 (23) Artikelnummer: - Start- / Endseite: 10708 - 10713 Identifikator: ISSN: 1477-9226
CoNE: https://pure.mpg.de/cone/journals/resource/954925269323