Introducing a large polar tetragonal distortion into Ba doped BiFeO3 by low temperature fluorination

Research output: Contribution to journalArticlepeer-review


  • Oliver Clemens
  • Robert Kruk
  • Eric A. Patterson
  • Christoph Loho
  • Christian Reitz
  • Kevin S. Knight
  • Horst Hahn

Colleges, School and Institutes

External organisations

  • Karlsruhe Institute of Technology
  • Technische Universitat Darmstadt
  • Rutherford Appleton Laboratory


This article reports on the synthesis and crystallographic and magnetic structure of barium-doped BiFeO3 compounds with approximate composition Bi1–xBaxFeO3–x/2, as well as those of the fluorinated compounds Bi1–xBaxFeO3–xFx (both with x = 0.2, 0.3), prepared by low-temperature fluorination of the oxide precursors using polyvinylidenedifluoride. Whereas the oxide compounds were obtained as cubic (x = 0.2) and slightly tetragonal (x = 0.3, c/a ≈ 1.003) distorted perovskite compounds, a large tetragonal polar distortion was observed for the oxyfluoride compounds (c/a ≈ 1.08 for x = 0.2 and ∼1.05 for x = 0.3), being isostructural to tetragonal PbTiO3. Although described differently in previous reports on Ba-doped BiFeO3, the observed remanent magnetization is found to agree well with the amount of BaFe12O19 only detectable by neutron diffraction and the well-known magnetic properties of BaFe12O19. The oxyfluoride compounds show G-type antiferromagnetic ordering with magnetic moments lying in the a/b plane.


Original languageEnglish
Pages (from-to)12572-12683
JournalInorganic Chemistry
Issue number23
Early online date10 Nov 2014
Publication statusPublished - 1 Dec 2014