Synthesis, structural and magnetic characterisation of the fully fluorinated compound 6H-BaFeO{sub 2}F

Journal Article · Fri Feb 15 00:00:00 EST 2013 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/J.JSSC.2012.10.017· OSTI ID:22150027

Clemens, Oliver ^[1]; Wright, Adrian J.; Berry, Frank J. ^[1]; Smith, Ronald I. ^[2]; Slater, Peter R. ^[1]

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1. School of Chemistry, University of Birmingham, Birmingham B15 2TT (United Kingdom)
2. ISIS Facility, Rutherford Appleton Laboratory, Harwell Oxford, Didcot, OX11 0QX (United Kingdom)

The compound 6H-BaFeO{sub 2}F (P6{sub 3}/mmc) was synthesised by the low temperature fluorination of 6H-BaFeO{sub 3-d} using polyvinylidenedifluoride (PVDF) as a fluorination agent. Structural characterisation by XRD and NPD suggests that the local positions of the oxygen and fluorine atoms vary with no evidence for ordering on the anion sites. This compound shows antiferromagnetic ordering at room temperature with antiparallel alignment of the magnetic moments along the c-axis. The use of PVDF also allows the possibility of tuning the fluorine content in materials of composition 6H-BaFeO{sub 3-d}F{sub y} to any value of 0<=}1. In addition, the oxygen content, and therefore the iron oxidation state, can be tuned by applying different partial pressures of oxygen during the reaction. - Graphical abstract: The crystal structure of the hexagonal perovskite phase 6H-BaFeO{sub 2}F. Highlights: Black-Right-Pointing-Pointer The crystal structure of the hexagonal perovskite phase 6H-BaFeO{sub 2}F. Black-Right-Pointing-Pointer H-BaFeO{sub 2}F and 6H-BaFeO{sub 3-d}F{sub y} were prepared via low temperature fluorination using PVDF. Black-Right-Pointing-Pointer A structural investigation of the compounds BaFeO{sub 2}F is presented in detail. Black-Right-Pointing-Pointer This analysis suggests differences for the local coordination of O{sup 2-} and F{sup -} anions. Black-Right-Pointing-Pointer H-BaFeO{sub 2}F shows antiferromagnetic ordering at 300 K. Black-Right-Pointing-Pointer The magnetic moments align parallel to the a-axis.

• OSTI ID: 22150027
• Journal Information: Journal of Solid State Chemistry, Vol. 198; Other Information: Copyright (c) 2012 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
36 MATERIALS SCIENCE
ANIONS
ANTIFERROMAGNETISM
FLUORINATION
FLUORINE
FLUORINE IONS
HCP LATTICES
IRON
MAGNETIC MOMENTS
ORGANIC FLUORINE COMPOUNDS
OXYGEN
OXYGEN IONS
PARTIAL PRESSURE
PEROVSKITE
POLYVINYLS
SYNTHESIS
TEMPERATURE RANGE 0065-0273 K
VALENCE
X-RAY DIFFRACTION