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Oxygen ion vacancies in strontium cobalt oxides: neutron and X-ray diffraction study

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Abstract

Structural analysis of the three different phases of strontium cobalt oxide has been performed at room temperature using X-ray and neutron diffraction. The three phases, namely Sr6Co5O15, SrCoO2.5, and SrCoO3-δ were analyzed by using combined Rietveld refinement of x-ray and neutron diffraction patterns to achieve a single structural solution. Crystallographically different oxygens which might be responsible for oxide ion movement inside the lattice were identified and typically found to have lower fractional occupancy in addition to higher thermal parameters. The presence of oxygen vacancy channels has been identified for SrCoO2.5 and SrCoO3-δ whereas vacancy channels were unavailable for Sr6Co5O15. These results have implications for understanding oxygen ion mobility in these materials.

Graphical abstract

Analysis of three phases of SrCoOx by combined X-ray and neutron data refinement to get single structural solution. Oxide ion mobility identification by high Debye-Waller factors and low fractional occupancies. Linked (110) planes with vacant oxygen sites form vacancy channels for ion migration in SrCoO3-δ.

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Acknowledgements

A.M.N. and A.M.U. would like to thank UGC-DAE Consortium for Scientific Research for funding the work (CRS-M-237) and acknowledge FIST for providing funding for the XRD facility. A.M.N. acknowledges the Council of Scientific and Industrial Research (CSIR), Government of India for financial support in the form of Junior and Senior Research Fellowship.

Funding

This work was partly funded by the University Grants Commission - Department of Atomic Energy Consortium for Scientific Research (CRS-M-237).

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Authors and Affiliations

  1. Materials Research Centre, Indian Institute of Science, Bengaluru, 560012, India

    Aswathy M Narayanan & Arun M Umarji

  2. Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai, 400085, India

    Sourabh Wajhal, Anil B Shinde & P Siva Ram Krishna

  3. Department of Chemistry, Vel Tech Rangarajan Dr. Sagunthala R&D Institute of Science and Technology, Vel Nagar, Avadi, Chennai, Tamil Nadu, 600062, India

    Aswathy M Narayanan

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  1. Aswathy M Narayanan
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  2. Sourabh Wajhal
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  3. Anil B Shinde
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  4. P Siva Ram Krishna
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  5. Arun M Umarji
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Contributions

AMN: investigation, formal analysis, validation, visualization, writing—original draft; SW: investigation, formal analysis, validation, visualization, writing—original draft; ABS: methodology, investigation, formal analysis, validation, writing—review and editing; PSRK: methodology, investigation, formal analysis, validation, writing—review and editing; AMU: conceptualization, funding acquisition, supervision and writing—review and editing. All authors have read and contributed to the final version of the manuscript.

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Correspondence to Aswathy M Narayanan or P Siva Ram Krishna.

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Narayanan, A.M., Wajhal, S., Shinde, A.B. et al. Oxygen ion vacancies in strontium cobalt oxides: neutron and X-ray diffraction study. J Chem Sci 135, 76 (2023). https://doi.org/10.1007/s12039-023-02202-0

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  • DOI: https://doi.org/10.1007/s12039-023-02202-0

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