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Title: 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 » iron in BaFeO{sub 2}F has been explored.« less

Authors:
;  [1];  [2];  [3]; ;  [1];  [4]
  1. School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom)
  2. Science Institute, University of Iceland, Dunhagi 3, IS-107 Reykjavik (Iceland)
  3. Department of Chemistry, Open University, Walton Hall, Milton Keynes MK7 6AA (United Kingdom)
  4. 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}
}