Structure and magnetic properties of the cubic oxide fluoride BaFeO2F

Frank J. Berry, Fiona C. Coomer, Cathryn Hancock, Oern Helgason, Elaine A. Moore, Peter R. Slater, Adrian J. Wright, Michael F. Thomas

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46 Citations (Scopus)


Fluorination of the parent oxide, BaFeO3-delta, with polyvinylidine fluoride gives rise to a cubic compound with a = 4.0603(4) angstrom at 298 K. Fe-57 Mossbauer 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 T-N=645 +/- 5 K. Neutron diffraction data at 4.2 K established G-type antiferromagnetism with a magnetic moment per Fe3+ ion of 3.95 mu(B). However, magnetisation measurements indicated the presence of a weak ferromagnetic moment that is assigned to the canting of the antiferromagnetic structure. Fe-57 Mossbauer 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.

Original languageEnglish
Pages (from-to)1361-1366
Number of pages6
JournalJournal of Solid State Chemistry
Issue number6
Early online date14 Apr 2011
Publication statusPublished - Jun 2011


  • BaFeO2F
  • oxide fluoride
  • canted antiferromagnet
  • perovskite
  • insertion


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