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The Structure Investigation of Copper, Nickel and Iron Hexacyanometalates from Conventional X-Ray Powder Diffraction Data

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Abstract:

The crystal structure of new Prussian blue analogue samples, KCu[Fe1-x Cox(CN)6], KNi[Fe1-x Cox(CN)6] and Fe[Fe1-x Cox(CN)6], was solved on the base of the model from Keggin and Miles [1] and refined by the Rietveld method [2] from conventional X-ray powder diffraction data. These compounds form mixed crystals for all Fe/Co ratios. The crystal structure of the KCu[Fe0.3Co0.7(CN)6], KNi[Fe0.3Co0.7(CN)6] and Fe[Fe0.8Co0.2(CN)6] is presented in detail. For both potassium containing compounds the disorder in the potassium arrangement is the most obvious characteristic.

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Periodical:

Materials Science Forum (Volumes 443-444)

Pages:

345-348

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.443-444.345

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Online since:

January 2004

Authors:

Irena Petrovic-Prelevic, Antje Widmann, Heike Kahlert, Harm Wulff, Fritz Scholz

Keywords:

Hexacyanometalates, Rietveld Refinement, Structure, X-Ray Powder Diffraction

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© 2004 Trans Tech Publications Ltd. All Rights Reserved

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References

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[16] 17 18 24 25.

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[2] 0 4 0 6 0 8 0 1 00 12 0.

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[1] 00 0.

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[2] 00 0 K C u[C o0, 7F e0, 3(C N )6] 2� (o).

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[20] 40 60 80 10 0 12 0.

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[6] 00.

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[12] 00 Intensity (counts) K N i[C o0, 7Fe0, 3(C N )6].

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[2] 0 4 0 6 0 8 0 1 00 1 2 0.

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[50] 0.

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[1] 00 0.

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[1] 50 0 F e[Fe0, 8C o0, 2(C N )6] Figure 2. Observed (+), calculated (-) and difference data of the final Rietveld refinement of KCu[hcm], KNi[hcm] and Fe[hcm] Figure 3. View of the structures of KCu[hcm], KNi[hcm] and Fe[hcm] Figure 4. The calculated Fourier maps of KCu[hcm] (left) and KNi[hcm] (right).

DOI: 10.2217/vjbm-2021-0006-media

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