Structure and magnetic properties of the cubic oxide fluoride BaFeO{sub 2}F
Abstract
Fluorination of the parent oxide, BaFeO{sub 3-{delta}}, with polyvinylidine fluoride gives rise to a cubic compound with a=4.0603(4) A at 298 K. {sup 57}Fe Moessbauer spectra confirmed that all the iron is present as Fe{sup 3+}. Neutron diffraction data showed complete occupancy of the anion sites, indicating a composition BaFeO{sub 2}F, with a large displacement of the iron off-site. The magnetic ordering temperature was determined as T{sub N}=645{+-}5 K. Neutron diffraction data at 4.2 K established G-type antiferromagnetism with a magnetic moment per Fe{sup 3+} ion of 3.95 {mu}{sub B}. However, magnetisation measurements indicated the presence of a weak ferromagnetic moment that is assigned to the canting of the antiferromagnetic structure. {sup 57}Fe Moessbauer 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. - Graphical abstract: The cubic oxide fluoride of composition BaFeO{sub 2}F has been synthesised and characterised. Highlights: > Fluorination of BaFeO{sub 3-{delta}} with polyvinylidene fluoride gives a cubic oxide fluoride of composition BaFeO{sub 2}F. > BaFeO{sub 2}F adopts a canted antiferromagnetic structure and is different from the related phase of composition SrFeO{sub 2}F. > A model of fluoride ion distribution aboutmore »
- Authors:
-
- School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom)
- Science Institute, University of Iceland, Dunhagi 3, IS-107 Reykjavik (Iceland)
- Department of Chemistry, Open University, Walton Hall, Milton Keynes MK7 6AA (United Kingdom)
- Department of Physics, The University of Liverpool, Liverpool L69 3BX (United Kingdom)
- Publication Date:
- OSTI Identifier:
- 21580093
- Resource Type:
- Journal Article
- Journal Name:
- Journal of Solid State Chemistry
- Additional Journal Information:
- Journal Volume: 184; Journal Issue: 6; Other Information: DOI: 10.1016/j.jssc.2011.04.011; PII: S0022-4596(11)00179-4; Copyright (c) 2011 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Journal ID: ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ANIONS; ANTIFERROMAGNETISM; DISTRIBUTION; FLUORIDES; FLUORINATION; IRON; IRON 57; IRON IONS; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; MAGNETIZATION; MOESSBAUER EFFECT; NEUTRON DIFFRACTION; ORGANIC FLUORINE COMPOUNDS; OXIDES; PEROVSKITE; POLYVINYLS; CHALCOGENIDES; CHARGED PARTICLES; CHEMICAL REACTIONS; COHERENT SCATTERING; DIFFRACTION; ELEMENTS; EVEN-ODD NUCLEI; FLUORINE COMPOUNDS; HALIDES; HALOGEN COMPOUNDS; HALOGENATION; INTERMEDIATE MASS NUCLEI; IONS; IRON ISOTOPES; ISOTOPES; MAGNETISM; METALS; MINERALS; NUCLEI; ORGANIC COMPOUNDS; ORGANIC HALOGEN COMPOUNDS; ORGANIC POLYMERS; OXIDE MINERALS; OXYGEN COMPOUNDS; PEROVSKITES; PHYSICAL PROPERTIES; POLYMERS; SCATTERING; STABLE ISOTOPES; TRANSITION ELEMENTS
Citation Formats
Berry, Frank J., E-mail: f.j.berry.1@bham.ac.uk, Coomer, Fiona C, Hancock, Cathryn, Helgason, Orn, Moore, Elaine A, Slater, Peter R, Wright, Adrian J, and Thomas, Michael F. Structure and magnetic properties of the cubic oxide fluoride BaFeO{sub 2}F. United States: N. p., 2011.
Web. doi:10.1016/j.jssc.2011.04.011.
Berry, Frank J., E-mail: f.j.berry.1@bham.ac.uk, Coomer, Fiona C, Hancock, Cathryn, Helgason, Orn, Moore, Elaine A, Slater, Peter R, Wright, Adrian J, & Thomas, Michael F. Structure and magnetic properties of the cubic oxide fluoride BaFeO{sub 2}F. United States. https://doi.org/10.1016/j.jssc.2011.04.011
Berry, Frank J., E-mail: f.j.berry.1@bham.ac.uk, Coomer, Fiona C, Hancock, Cathryn, Helgason, Orn, Moore, Elaine A, Slater, Peter R, Wright, Adrian J, and Thomas, Michael F. 2011.
"Structure and magnetic properties of the cubic oxide fluoride BaFeO{sub 2}F". United States. https://doi.org/10.1016/j.jssc.2011.04.011.
@article{osti_21580093,
title = {Structure and magnetic properties of the cubic oxide fluoride BaFeO{sub 2}F},
author = {Berry, Frank J., E-mail: f.j.berry.1@bham.ac.uk and Coomer, Fiona C and Hancock, Cathryn and Helgason, Orn and Moore, Elaine A and Slater, Peter R and Wright, Adrian J and Thomas, Michael F},
abstractNote = {Fluorination of the parent oxide, BaFeO{sub 3-{delta}}, with polyvinylidine fluoride gives rise to a cubic compound with a=4.0603(4) A at 298 K. {sup 57}Fe Moessbauer spectra confirmed that all the iron is present as Fe{sup 3+}. Neutron diffraction data showed complete occupancy of the anion sites, indicating a composition BaFeO{sub 2}F, with a large displacement of the iron off-site. The magnetic ordering temperature was determined as T{sub N}=645{+-}5 K. Neutron diffraction data at 4.2 K established G-type antiferromagnetism with a magnetic moment per Fe{sup 3+} ion of 3.95 {mu}{sub B}. However, magnetisation measurements indicated the presence of a weak ferromagnetic moment that is assigned to the canting of the antiferromagnetic structure. {sup 57}Fe Moessbauer 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. - Graphical abstract: The cubic oxide fluoride of composition BaFeO{sub 2}F has been synthesised and characterised. Highlights: > Fluorination of BaFeO{sub 3-{delta}} with polyvinylidene fluoride gives a cubic oxide fluoride of composition BaFeO{sub 2}F. > BaFeO{sub 2}F adopts a canted antiferromagnetic structure and is different from the related phase of composition SrFeO{sub 2}F. > A model of fluoride ion distribution about iron in BaFeO{sub 2}F has been explored.},
doi = {10.1016/j.jssc.2011.04.011},
url = {https://www.osti.gov/biblio/21580093},
journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = 6,
volume = 184,
place = {United States},
year = {Wed Jun 15 00:00:00 EDT 2011},
month = {Wed Jun 15 00:00:00 EDT 2011}
}