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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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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0027-B650-E Version Permalink: http://hdl.handle.net/21.11116/0000-0000-6EAE-2
Genre: Journal Article

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 Creators:
Istomin, S. Ya.1, Author
Tyablikov, O. A.1, Author
Kazakov, S. M.1, Author
Antipov, E. V.1, Author
Kurbakov, A. I.1, Author
Tsirlin, A. A.2, Author              
Hollmann, N.3, Author              
Chin, Y. Y.4, Author              
Lin, H.-J.1, Author
Chen, C. T.1, Author
Tanaka, A.1, Author
Tjeng, L. H.5, Author              
Hu, Z.6, Author              
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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Free keywords: TEMPERATURE THERMAL-EXPANSION; TRANSPORT-PROPERTIES; MAGNETIC-PROPERTIES; PHASE-TRANSITIONS; FUEL-CELLS; CRYSTALChemistry;
 Abstract: 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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Language(s): eng - English
 Dates: 2015-03-26
 Publication Status: Published in print
 Pages: 6
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: ISI: 000355701000020
DOI: 10.1039/c4dt03670k
 Degree: -

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Title: Dalton Transactions
  Other : Dalton Trans.
Source Genre: Journal
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Publ. Info: Cambridge, UK : Royal Society of Chemistry
Pages: - Volume / Issue: 44 (23) Sequence Number: - Start / End Page: 10708 - 10713 Identifier: ISSN: 1477-9226
CoNE: /journals/resource/954925269323