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Experimental Determination and Atomistic Simulation on the Structure of FeZn13

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Abstract

By X-ray diffraction combined with Rietveld structure refinement, the crystal structure of FeZn13 was determined experimentally in this study. The results indicated that the structure of FeZn13 is monoclinic and the lattice parameters are a = 1.3408 nm, b = 0.7605 nm, c = 0.5074 nm, and β = 127.206°. It was confirmed that Fe atoms occupy the 2c position (0, 0, 0.5) in space group C2/m, and the coordinates of Zn atoms at the Zn(1) position are (0.114, 0.5, 0.293), which supports the results from Belin et al. (Acta Cryst. C 56:267, 2000). In addition, an atomistic calculation was carried out to determine the crystal structure based on the interatomic potentials obtained using the lattice inversion method, and Fe atoms are substituted by Zn atoms in the narrow solubility range of FeZn13, which is the fundamental for studying the solubility and site preference of alloying elements of FeZn13. Good agreement between the experimental results and the theoretical calculations was achieved.

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References

  1. H. Guttman, P. Niessen, Reactivity of Silicon-Steels in Hot Dip Galvanizing, Can. Metall. Q., 1972, 11, p 609

    Google Scholar 

  2. L.P. Devillers, H. Guttman, and P. Niessen, The Mechanism of Excessive Coating Growth on Silicon Steels in Hot-dip Galvanizing, Proceedings of Galvanization of Si Containing Steels, ILZRO, Publ. Liege, 1975, 75, p 48

  3. X.P. Su, N.-Y. Tang, J. Toguri, 450°C Isothermal Section of the Fe-Zn-Si Ternary Phase Diagram, Can. Metall. Q. 2001, 40(3), p 377

    Google Scholar 

  4. R.W. Sandelin, Galvanizing Characteristics of Different Types of Steels, Wire Wire Prod. 1940, 15, 3

    Google Scholar 

  5. F. Götzl, F. Halla, J. Schramm, δ1 and ζ Phases in the Systems Fe-Zn and Co-Zn, Z. Metallkd. 1941, 33, 375

    Google Scholar 

  6. P.J. Brown, The Structure of the ζ-Phase in the Transition Metal-Zinc Alloy Systems, Acta Cryst., 1962, 15, 606

    Google Scholar 

  7. P.J. Gellings, E. Willam, G. Gierman, Synthesis and Characterization of Homogeneous Intermetallic Fe-Zn Compounds, Z. Metallkd., 1979, 70, 315

    Google Scholar 

  8. R. Belin, M. Tillard, L. Monconduit, Redetermination of the Iron-Zinc Phase FeZn13, Acta Cryst. C, 2000, 56, p 267

    Google Scholar 

  9. N.X. Chen, J. Shen, X.P. Su, Theoretical Study on the Phase Stability, Site Preference, and Lattice Parameters for Gd(Fe,T)12, J. Phys. Condens. Matter, 2001, 13, p 2727

    Article  Google Scholar 

  10. N.X. Chen, Modified Möbius Inverse Formula and Its Applications in Physics, Phys. Rev. Lett., 1990, 64, 1193

    Article  MATH  ADS  MathSciNet  Google Scholar 

  11. N.X. Chen, Z.D. Chen, Y.C. Wei, Multidimensional Inverse Lattice Problem and a Uniformly Sampled Arithmetic Fourier Transform, Phys. Rev. E, 1997, 55, 5

    Article  ADS  Google Scholar 

  12. N.X. Chen, S.Q. Hao, and Y. Wu, Phase Stability and Site Preference of Sm(Fe,T)12, J. Magn. Magn. Mater., 2001, 233, p 169

    Google Scholar 

  13. H. Chang, N.X. Chen, J.K. Liang, G.H. Rao, Theoretical Study of Phase Forming of NaZn13-Type Rare-Earth Intermetallics, J. Phys. Condens. Matter, 2003, 15(2), 109

    Article  ADS  Google Scholar 

  14. J.Y. Xie, N.X. Chen, J. Shen, L.D. Teng, S. Seetharaman, Atomistic Study on the Structure and Thermodynamic Properties of Cr7C3, Mn7C3, Fe7C3, Acta Mater., 2005, 53, 2727

    Article  Google Scholar 

  15. J.C.P.D.S.—International Center for Diffraction Data, publishers of the Power Diffraction File, Newtown Square, PA

  16. J. Rodriguez-Carvajal, FULLPROF2000, version July 2001, LLB, France, 2001

  17. B.P. Burton, P. Perrot, and H. Okamoto, Phase Diagrams 63 of Binary Iron Alloys, H. Okamoto, Ed., 1993, p 459-466

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Acknowledgments

The authors would like to thank Prof. N.X. Chen at Tsinghua University and Prof. G.H. Rao and Dr. G.Y. Liu at the Institute of Physics in the Chinese Academy of Sciences for constructive discussions and encouragement. This work is supported by the National Natural Science Foundation of China (No. 50671088) and by the program for New Century Excellent Talents in Universities (NCET-04-778).

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Authors and Affiliations

  1. Key Laboratory of Materials Design and Preparation Technology of Hunan Province, School of Mechanical Engineering, Xiangtan University, Hunan, P.R. China

    Y. Liu, X.P. Su, F.C. Yin & Z. Li

  2. Teck Cominco Metals Ltd., Product Technology Centre, 2380 Speakman Drive, Sheridan Science and Technology Park, Mississauga, ON, Canada, L5K 1B4

    Y.H. Liu

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  1. Y. Liu
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  2. X.P. Su
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  3. F.C. Yin
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Correspondence to X.P. Su.

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Liu, Y., Su, X., Yin, F. et al. Experimental Determination and Atomistic Simulation on the Structure of FeZn13 . J Phs Eqil and Diff 29, 488–492 (2008). https://doi.org/10.1007/s11669-008-9416-7

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  • DOI: https://doi.org/10.1007/s11669-008-9416-7

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