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Title: Evolution of oxygen-vacancy ordered crystal structures in the perovskite series SrnFenO3n-1 (n=2, 4, 8, and {infinity}), and the relationship to electronic and magnetic properties.

Abstract

Over the oxygen composition range 2.5{<=}x{<=}3.0, the SrFeO{sub x} system exists as four distinct compounds with the nominal composition Sr{sub n}Fe{sub n}O{sub 3n-1} (n=2, 4, 8, and {infinity}). The end member SrFeO{sub 3} (n={infinity}) possesses a simple cubic perovskite crystal structure, whereas the oxygen-deficient (n=2, 4, and 8) members each adopt a different vacancy-ordered perovskite crystal structure. Using time-of-flight neutron powder diffraction, we show that previously proposed structures for the Sr{sub 4}Fe{sub 4}O{sub 11} (n=4) and Sr{sub 8}Fe{sub 8}O{sub 23} (n=8) compounds are incorrect. We determine the correct crystal structures for Sr{sub 4}Fe{sub 4}O{sub 11} (orthorhombic, space group Cmmm, a=10.974(1) {angstrom}, b=7.702(1) {angstrom}, and c=5.473(1) {angstrom}) and Sr{sub 8}Fe{sub 8}O{sub 23} (tetragonal, space group I4/mmm, a=10.929(1) {angstrom} and c=7.698(1) {angstrom}) through comparisons of the goodness of fit for Rietveld refinements of candidate models and bond-length distributions for each model. Using the correct crystal structures, we are able to assign valence states to the Fe crystallographic sites and to achieve consistency with published Moessbauer results for the same compounds.

Authors:
; ; ; ; ; ; ;
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC); USDOD; OGA
OSTI Identifier:
942713
Report Number(s):
ANL/MSD/JA-33919
Journal ID: ISSN 0022-4596; JSSCBI; TRN: US200922%%575
DOE Contract Number:  
DE-AC02-06CH11357
Resource Type:
Journal Article
Journal Name:
J. Solid State Chem.
Additional Journal Information:
Journal Volume: 151; Journal Issue: 2 ; May 2000; Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
ENGLISH
Subject:
36 MATERIALS SCIENCE; CRYSTAL STRUCTURE; CUBIC LATTICES; IRON OXIDES; STRONTIUM OXIDES; MAGNETIC PROPERTIES; OXYGEN; PEROVSKITE; VACANCIES; ELECTRICAL PROPERTIES; VALENCE

Citation Formats

Hodges, J. P., Jorgensen, J. D., Xiong, X., Dabrowski, B., Mini, S. M., Kimball, C. W., Materials Science Division, and Northern Illinois Univ. Evolution of oxygen-vacancy ordered crystal structures in the perovskite series SrnFenO3n-1 (n=2, 4, 8, and {infinity}), and the relationship to electronic and magnetic properties.. United States: N. p., 2000. Web. doi:10.1006/jssc.1999.8640.
Hodges, J. P., Jorgensen, J. D., Xiong, X., Dabrowski, B., Mini, S. M., Kimball, C. W., Materials Science Division, & Northern Illinois Univ. Evolution of oxygen-vacancy ordered crystal structures in the perovskite series SrnFenO3n-1 (n=2, 4, 8, and {infinity}), and the relationship to electronic and magnetic properties.. United States. doi:10.1006/jssc.1999.8640.
Hodges, J. P., Jorgensen, J. D., Xiong, X., Dabrowski, B., Mini, S. M., Kimball, C. W., Materials Science Division, and Northern Illinois Univ. Mon . "Evolution of oxygen-vacancy ordered crystal structures in the perovskite series SrnFenO3n-1 (n=2, 4, 8, and {infinity}), and the relationship to electronic and magnetic properties.". United States. doi:10.1006/jssc.1999.8640.
@article{osti_942713,
title = {Evolution of oxygen-vacancy ordered crystal structures in the perovskite series SrnFenO3n-1 (n=2, 4, 8, and {infinity}), and the relationship to electronic and magnetic properties.},
author = {Hodges, J. P. and Jorgensen, J. D. and Xiong, X. and Dabrowski, B. and Mini, S. M. and Kimball, C. W. and Materials Science Division and Northern Illinois Univ.},
abstractNote = {Over the oxygen composition range 2.5{<=}x{<=}3.0, the SrFeO{sub x} system exists as four distinct compounds with the nominal composition Sr{sub n}Fe{sub n}O{sub 3n-1} (n=2, 4, 8, and {infinity}). The end member SrFeO{sub 3} (n={infinity}) possesses a simple cubic perovskite crystal structure, whereas the oxygen-deficient (n=2, 4, and 8) members each adopt a different vacancy-ordered perovskite crystal structure. Using time-of-flight neutron powder diffraction, we show that previously proposed structures for the Sr{sub 4}Fe{sub 4}O{sub 11} (n=4) and Sr{sub 8}Fe{sub 8}O{sub 23} (n=8) compounds are incorrect. We determine the correct crystal structures for Sr{sub 4}Fe{sub 4}O{sub 11} (orthorhombic, space group Cmmm, a=10.974(1) {angstrom}, b=7.702(1) {angstrom}, and c=5.473(1) {angstrom}) and Sr{sub 8}Fe{sub 8}O{sub 23} (tetragonal, space group I4/mmm, a=10.929(1) {angstrom} and c=7.698(1) {angstrom}) through comparisons of the goodness of fit for Rietveld refinements of candidate models and bond-length distributions for each model. Using the correct crystal structures, we are able to assign valence states to the Fe crystallographic sites and to achieve consistency with published Moessbauer results for the same compounds.},
doi = {10.1006/jssc.1999.8640},
journal = {J. Solid State Chem.},
issn = {0022-4596},
number = 2 ; May 2000,
volume = 151,
place = {United States},
year = {2000},
month = {5}
}