Structure and magnetic properties of the cubic oxide fluoride BaFeO2F

Berry, Frank J. and Coomer, Fiona C. and Hancock, Cathryn and Helgason, Oern and Moore, Elaine A. and Slater, Peter R. and 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. ISSN 0022-4596

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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.