A new approach for the determination of multiple cation locations and ordering, using the example of natural and heat-treated columbites

A new approach is proposed to determine unambiguously the location of four cations within the crystal structure of a natural AB2O6 columbite‐type compound and derivatives, when submitted to order–disorder transitions caused by heat treatments. This method is based on the successive use of electron m...

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Veröffentlicht in:Journal of applied crystallography 2011-08, Vol.44 (4), p.738-746
Hauptverfasser: Kinast, E. J., Isnard, O., da Cunha, J. B. M., de Vasconcellos, M. A. Z., dos Santos, C. A.
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container_end_page 746
container_issue 4
container_start_page 738
container_title Journal of applied crystallography
container_volume 44
creator Kinast, E. J.
Isnard, O.
da Cunha, J. B. M.
de Vasconcellos, M. A. Z.
dos Santos, C. A.
description A new approach is proposed to determine unambiguously the location of four cations within the crystal structure of a natural AB2O6 columbite‐type compound and derivatives, when submitted to order–disorder transitions caused by heat treatments. This method is based on the successive use of electron microprobe analysis to determine the cation concentration, Mössbauer spectroscopy to identify the Fe occupation, and a crystal structure determination of the samples combining Rietveld refinements of both neutron and X‐ray diffraction. This approach is tested successfully to investigate (Fe, Mn, Nb, Ta) natural minerals as well as oxides obtained by heat treatment of the initial AB2O6 columbite‐type compound.
doi_str_mv 10.1107/S0021889811023211
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subjects Cations
columbite
Condensed Matter
Crystal structure
Crystallography
Derivatives
Heat treating
Heat treatment
Iron
Materials Science
natural samples
Occupation
Order disorder
Oxides
Physics
wodginite
title A new approach for the determination of multiple cation locations and ordering, using the example of natural and heat-treated columbites
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