Skip to main content Accessibility help

Applications of Profile Analysis for Micro-Crystalline Properties From Total Pattern Fitting

  • Daniel Louër (a1)


The characterization of finely divided and structurally imperfect solids is required in the study of many classes of materials, e.g. ceramics, catalysts, decomposition products. Diffraction line broadening is influenced by the microstructure of the solid and is a valuable technique for a unique characterization of a material in terms of size and morphology of crystallites (a region over which diffraction is coherent) and imperfections (microstrains, d- spacing fluctuations, stacking faults, etc). The extraction of these features has traditionally been based on the study of individual diffraction lines, which restricts the analysis to a limited number of directions of diffraction vectors. The complexity of most powder patterns has been a serious impediment to the widespread use of the procedure for detailed microstructural characterization. The advent of fitting techniques, with the use of structural information (Rietveld method) and without structure model (pattern decomposition method) have extended the frontiers of diffraction line profile analyses. In the Rietveld method it has been recommended to have a prior knowledge of the origin and lattice direction dependences of the imperfection effect before embarking in the modelling of line broadening through the pattern. This modelling can be carried out with pattern decomposition methods, which provide individual diffraction lines for a subsequent study of microstructural properties. Several aspects of this technique, performances, limitations and practical problems are reviewed and discussed. Applications to oxides with high specific surface-area are used to illustrate the detailed microstructural information contained in a powder diffraction pattern.



Hide All
1. Delhez, R., de Keijser, T.H., Langford, J.I., Louer, D., Mittemeijer, E.J. and Sonneveld, E.J., Chapter 8, in: The Rietveld Method, R.A. Young, ed., Oxford Univ. Press (1993).
2. Enzo, S., Polizzi, S. and Benedetti, A., Zeits. Krist. 170:275 (1985).
3. Niepce, J.C. and Benabad-Sidky, A., Chemica Scripta 26A:11 (1986).
4. Toraya, H., Yoshimura, M. and Somiya, S., J. Appl. Cryst. 16: 653 (1983).
5. Le Bail, A. and Louer, D., J. Appl. Cryst. 11:50 (1978).
6. Langford, J.I., Louer, D., Sonneveld, E.J. and Visser, J.W., Powder Diff. 1:211 (1986).
7. Toraya, H., J. Appl. Cryst. 19:440 (1986).
8. Toraya, H., Powder Diff. 4:130 (1989).
9. Langford, J.I., J. Appl. Cryst. 11:10 (1978).
10. Langford, J.I., m:Accuracy in Powder Diffraction II, E. Prince & J.K. Stalick, ed., NISTSpec. Publ. 846, pp. 110 126 (1992).
11. Louer, D. and Langford, J.I., J. Appl Cryst. 21:430 (1988).
12. Wilson, A.J.C., X-ray Optics, 2nd ed. London: Methuen (1962).
13. Niepce, J.C., Mesnier, M.T. and Louer, D., J. Solid State Chem. 22:341 (1977).
14. Louer, D., Weigel, D. and Langford, J.I., J. Appl Cryst. 5:353 (1972).
15. Louer, P., Auffredic, J.P., Langford, J.I., Ciosraak, D. and Niepce, J.C., J. Appl. Cryst. 16:183(1983).
16. Louer, D., Vargas, R. and Auffredic, J.P., J. Am. Ceram. Soc. 61: 136 (1984).
17. Langford, J.I. and Louer, D., J. Appl. Cryst. 15:20 (1982).
18. Plevert, J. and Louer, D., J. Chim. Phys. 87:1427 (1990).
19. Langford, J.J. and Louer, D., J. Appl Cr,'st. 24:149 (1991).
20. Langford, J.I., Boultif, A., Auffredic, J.R and Louer, D., J. Appl. Cryst. 26:22 (1993).
21. Toraya, H., J Appl Cryst. 18:351 (1985).
22. Pelloquin, D., Louer, M. and Louer, D., J. Solid State Chem., in press.
23. Haider, N.C. and Wagner, C.N.J., Acta Oyst. 20:312 (1966).

Applications of Profile Analysis for Micro-Crystalline Properties From Total Pattern Fitting

  • Daniel Louër (a1)


Full text views

Total number of HTML views: 0
Total number of PDF views: 0 *
Loading metrics...

Abstract views

Total abstract views: 0 *
Loading metrics...

* Views captured on Cambridge Core between <date>. This data will be updated every 24 hours.

Usage data cannot currently be displayed