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

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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)

Edited by:

Yvonne Andersson, Eric J. Mittemeijer and Udo Welzel

Pages:

345-348

Citation:

I. Petrovic-Prelevic et al., "The Structure Investigation of Copper, Nickel and Iron Hexacyanometalates from Conventional X-Ray Powder Diffraction Data", Materials Science Forum, Vols. 443-444, pp. 345-348, 2004

Online since:

January 2004

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[1] J.F. Keggin, and F.D. Miles: Nature, (London), 137, (1936), 577-578.

[2] H.M. Rietveld, J. Appl. Crystallogr., 2, (1969), 65.

[3] J. Gonzáles-Platas and J. Rodríguez-Carvajal; Graphic Fourier Program v. 1. 12, Programme dActions Intégrées franco-espagnol <> (Dossier N° 98186).

[4] J. Rodríguez-Carvajal; Collected Abstracts of Powder Diffraction Meeting, Toulouse, France, 1990, 127.

[5] A. Widmann, H. Kahlert, I. Petrovic-Prelevic, H. Wulff, J.V. Yakhmi , N. Bagkar and F. Scholz, Inorganic Chemistry, submitted.

[6] H.J. Buser, D. Schwarzenbach, W. Petter and A. Ludi, Inorganic Chemistry, 16, (1977), 2704-2710.

[16] 17 18 24 25.

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

[1] 00 0.

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

[20] 40 60 80 10 0 12 0.

[6] 00.

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

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

[50] 0.

[1] 00 0.

[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: https://doi.org/10.7554/elife.24634.023

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