Structure and magnetic properties of the cubic oxide fluoride BaFeO2F

Berry, Frank J.; Coomer, Fiona C.; Hancock, Cathryn; Helgason, Őrn; Moore, Elaine A.; Slater, Peter R.; Wright, Adrian J. and Thomas, Michael F. (2011). Structure and magnetic properties of the cubic oxide fluoride BaFeO2F. Journal of Solid State Chemistry, 184(6) pp. 1361–1366.



Fluorination of the parent oxide, BaFeO3_δ with polyvinylidine fluoride gives rise to a cubic compound with a=4.0603(4) Å at 298 K. 57Fe Mössbauer spectra confirmed that all the iron is present as Fe3+. Neutron diffraction data showed complete occupancy of the anion sites, indicating a composition BaFeO2F, with a large displacement of the iron off-site. The magnetic ordering temperature was determined as TN=645±5 K. Neutron diffraction data at 4.2 K established G-type antiferromagnetism with a magnetic moment per Fe3+ ion of 3.95 μB. However, magnetisation measurements indicated the presence of a weak ferromagnetic moment that is assigned to the canting of the antiferromagnetic structure. 57Fe Mössbauer spectra in the temperature range 10–300 K were fitted with a model of fluoride ion distribution that retains charge neutrality of the perovskite unit cell.

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  • Item ORO ID
  • 28818
  • Item Type
  • Journal Item
  • ISSN
  • 0022-4596
  • Project Funding Details
  • Funded Project NameProject IDFunding Body
    Not SetNot SetEPSRC (Engineering and Physical Sciences Research Council)
  • Extra Information
  • NOTICE: this is the author’s version of a work that was accepted for publication in Journal of Solid State Chemistry. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of Solid State Chemistry, 184(6) 2011 10.1016/j.jssc.2011.04.011
  • Keywords
  • BaFeO2F; Oxide fluoride; Canted antiferromagnet
  • Academic Unit or School
  • Faculty of Science, Technology, Engineering and Mathematics (STEM) > Life, Health and Chemical Sciences
    Faculty of Science, Technology, Engineering and Mathematics (STEM)
  • Copyright Holders
  • © 2011 Elsevier Inc
  • Depositing User
  • Elaine Moore