Synthesis, structural and magnetic characterisation of the fluorinated compound 15R-BaFeO2F

Oliver Clemens, Frank J. Berry, Jessica Bauer, Adrian J. Wright, Kevin S. Knight, Peter R. Slater

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The compounds 15R-BaFeO2F and 15R-BaFeO2.27F0.5 have been synthesised by the low temperature fluorination of 15R-BaFeO3−dF0.2 using polyvinylidenedifluoride (PVDF) as a fluorination agent. The materials have been structurally characterised by Rietveld analysis of the X-ray- and HRPD-powder neutron diffraction data. A detailed analysis of bond valence sums suggests that the oxide and fluoride ions order on the different anion sites. A reinvestigation of our recently published structure (Clemens et al., 2013) [34] of 6H-BaFeO2F is also reported and incorporation of fluoride in h-type layers is also confirmed in this compound. The magnetic moments for 15R-BaFeO2F and 15R-BaFeO2.25F0.5 align in the a/b-plane with antiferromagnetic alignment of the moments between adjacent layers, and are flipped by 90° as compared to the precursor compound. 15R-BaFeO2F exhibits very robust antiferromagnetism with a Néel temperature between 300 and 400 °C.
Original languageEnglish
Pages (from-to)218-226
JournalJournal of Solid State Chemistry
Early online date29 Apr 2013
Publication statusPublished - Jul 2013


  • 6H-BaFeO2F
  • 15R-BaFeO2F
  • Hexagonal perovskite
  • Fluorination
  • PVDF
  • Magnetic structure


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