Rietveld refinement strategy for quantitative phase analysis of partially amorphous zeolitized tuffaceous rocks

Geologica Belgica

Volumn 13, Issue 3, 2010, Pages 183-196

  Snellings, Ruben ^a   Machiels, Lieven ^a   Mertens, Gilles ^a   Elsen, Jan ^a  

^a UNIVERSITY OF LEUVEN   (Belgium)

Author keywords

Amorphous phase; Natural zeolites; Quantitative analysis; Rietveld method; Synchrotron; Tuffs

Indexed keywords

EID: 77649251953     PISSN: 13748505     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (48)

1. Suplementary data for this paper are available at Geologica Belgica on line.
2. ABRAHAMS, S.C. & BERNSTEIN, J.L., 1969. Remeasurement of the structure of hexagonal ZnO. Acta Crystallographica B., 25: 1233-1236.
3. AHTEE, M., NURMELA, M., SUORTTI, P. & JÄRVINEN, M., 1989. Correction for preferred orientation in Rietveld refinement. Journal of Applied Crystallography, 22: 261-268.
4. ARMBRUSTER, T. & GUNTER, M.E., 2001. Crystal structures of natural zeolites. In: Bish, D.L. & Ming, D.W., Natural zeolites: occurrence, properties, applications. Reviews in mineralogy and geochemistry, Mineralogical Society of America, Washington DC, 45: 1-68.
5. BARKER, J.M., FREEMAN, P.S., AUSTIN, G.S., BOWMAN, R.S., 2004. Development of value-added zeolite products from St. Cloud Mining. CIM Bulletin, 97: 1-7.
6. BENITO, R., GARCIA-GUINEA, J., VALLE-FUENTES, F.J., RECIO, P., 1998. Mineralogy, geochemistry and uses of the mordenite-bentonite ash-tuff beds of Los Escullos, Almería, Spain. Journal of Geochemical Exploration, 62: 229-240.
7. BÉRAR, J. -F. & LELANN, P., 1991. E.S.D's and estimated probable error obtained in Rietveld refinements with local correlations. Journal of Applied Crystallography, 24: 1-5.
8. BISH, D. & HOWARD, S.A., 1988. Quantitative phase analysis using the Rietveld method. Journal of Applied Crystallography, 21, 86-91.
9. BISH, D.L. & POST, J.E, 1993. Quantitative mineralogical analysis using the Rietveld full-pattern fitting method. American Mineralogist, 78:932-940.
10. BRINDLEY, G.W., 1945. The effect of grain or particle size on X-ray reflections from mixed powders and alloys, considered in relation to the quantitative determination of crystalline substances by X-ray methods. Philosophical Magazine (Series 7), 36, 347-369.
11. CHEARY, R.W., COELHO, A.A., 1992. A fundamental parameters approach of X-ray line-profile fitting. Journal of Applied Crystallography, 25: 109-121.
12. COELHO, A.A., 2007. Topas Academic v4.1, http://members.optusnet.com.au/alancoelho/.
13. DE LA TORRE, A.G., BRUQUE, S. & ARANDA, M.A.G., 2001. Rietveld quantitative amorphous content analysis. Journal of Applied Crystallography, 34: 196-202.
14. DOLLASE, W.A., 1986. Correction of intensities for preferred orientation in powder diffractometry: Application of the March Model. Journal of Applied Crystallography, 19: 267-272.
15. EBERL, D.D., 2003. User guide to RockJock, a program for determining quantitative mineralogy from powder X-ray diffraction data. USGS Open File Report OF 03-78, 40 pp.
16. EYDE, T.H., 1982. Zeolite deposits in the Gilda and San Simon valleys of Arizona and New Mexico. New Mexico Bureau of Mines & Mineral Resources, 182: 65-71.
17. FLOOD, P.G., TAYLOR, J.C., 1991. Mineralogy and geochemistry of Late Carboniferous zeolites, near Werris Creek, New South Wales, Australia. Neues Jahrbuch für Mineralogie-Monatshefte, 2: 49-62.
18. GIACOVAZZO, C., MONACO, H.L., VITERBO, D., SCORDARI, F., GILLI, G., ZANOTTI, G. & CATTI, M., 2002. Fundamentals of Crystallography. IUCr texts on Crystallography, 7, Oxford University Press, 825 pp.
19. GUALTIERI, A., 1996. Modal analysis of pyroclastic rocks by combined Rietveld and RIR methods. Powder diffraction, 11: 97-106.
20. GUALTIERI, A.F. & BRIGNOLI, G., 2004. Rapid and accurate quantitative phase analysis using a fast detector. Journal of Applied Crystallography, 37: 8-13.
21. GUALTIERI, A.F., 2000. Accuracy of XRPD QPA using the combined Rietveld-RIR method. Journal of Applied Crystallography, 33: 267-278.
22. GUALTIERI, A.F., VIANI, A. & MONTANARI, C., 2006. Quantitative phase analysis of hydraulic limes using the Rietveld method. Cement and Concrete Research, 36: 401-406.
23. GUDE, A.J. & SHEPPARD, R.A., 1988. A zeolitic tuff in a lacustrine facies of the Gila Conglomerate near Buckhorn, Grant County, New Mexico. Bulletin of the US Geological Survey, 1763, 22 p.
24. HILL, R.J. & HOWARD, C.J, 1987. Quantitative phase analysis from neutron powder diffraction data using the Rietveld method. Journal of Applied Crystallography, 20: 467-474.
25. HILL, R.J., 1991. Expanded use of the Rietveld method in studies of phase abundance in multiphase mixtures. Powder Diffraction, 6: 74-77.
26. HONRADO, M.L., PASCUA, C.S., VARGAS, E., ARCILLA, C.A., ALEXANDER, W.R., NAMIKI, K., FUJII, N., YAMAKAWA, M., SATO, T., MCKINLEY, I.G., 2009. Smectite and zeolite formation from the pyroclastic deposits of the Aksitero Formation, Philippines. Geochimica et Cosmochimica Acta, 73, Supplement 1: A547.
27. KLUG, H.P. & ALEXANDER, L.E., 1974. X-ray powder diffraction procedures for polycrystalline and amorphous materials. Wiley, New York, 992 pp.
28. LARSON, A.C &, VON DREELE, R.B., 2004. General Structure Analysis System (GSAS), Los Alamos National Laboratory Report LAUR 86-748.
29. MADSEN, I.C., SCARLETT, N.V.Y., CRANSWICK, L.M.D. & LWIN, T., 2001. Outcomes of the International Union of Crystallography commission on powder diffraction round robin on quantitative phase analysis: samples 1a to 1h. Journal of Applied Crystallography, 34: 409-426.
30. MCCUSKER, L.B., VON DREELE, R.B., COX, D.E., LOUËR, D. & SCARDI, P., 1999. Rietveld refinement guidelines. Journal of Applied Crystallography, 32: 36-50.
31. MITCHELL, L.D., MARGESON, J.C. & WHITFIELD, P.S., 2006. Quantitative Rietveld analysis of hydrated cementitious systems. Powder Diffraction, 21: 111-113.
32. MORTIER, W.J., PLUTH, J.J & SMITH, J.V., 1976. Positions of cations and molecules in zeolites with the mordenite-type framework, III. Rehydrated Ca-exchanged ptilolite. Materials Research Bulletin, 11: 15-22.
33. PRITULA, O., SMRčOK, L., TÖBBENS, D.M. & LANGER, V., 2004. X-ray and neutron Rietveld quantitative phase analysis of industrial Portland cement clinkers. Powder Diffraction, 19: 232-238.
34. RICHARDSON, J.W., 1993. Background modelling in Rietveld analysis. In: R.A. Young (Ed.) The Rietveld Method. IUCr Monographs on Crystallography 5, Oxford University Press, 102-109.
35. RIETVELD, H.M., 1969. A profile refinement method for nuclear and magnetic structures. Journal of Applied Crystallography, 2: 65-71.
36. SCARLETT, N.V.Y., MADSEN, I.C., MANIAS, C. & RETALLACK, D., 2001. On-line X-ray diffraction for quantitative phase analysis: Application in the Portland cement industry. Powder Diffraction, 16: 71-80
37. SCOTT, H.G., 1983. The estimation of standard deviations in powder diffraction Rietveld refinements. Journal of Applied Crystallography, 16: 159-163.
38. SHANNON, R.D. & PREWITT, C.T., 1970. Revised values of effective ionic radii. Acta Crystallographica B, 26: 1046-1048.
39. SNELLINGS, R.A., GUALTIERI, A.F. & ELSEN, J., 2009. The Rietveld refinement of an exceptionally pure sample of clinoptilolite from Ecuador and its Na-, K-, and Ca-exchanged forms. Zeitschrift für Kristallographie Supplement, 30: 395-400.
40. SNYDER, R.L. & BISH, D.L., 1989. Quantitative analysis. In Bish, D.L. & Post, J.E., eds. Reviews in Mineralogy, Modern powder diffraction. Mineralogical Society of America, 20: 101-144.
41. Środoń, J., DRITS, V.A., MCCARTY, D.K., HSIEH, J.C.C. & EBERL, D.D., 2001. Quantitative X-ray diffraction analysis of clay bearing rocks from random preparations. Clays and Clay Minerals, 49: 514-528.
42. SUHERMAN, P.M., VAN RIESSEN, A., O'CONNOR, B., LI, D., BOLTON, D. & FAIRHURST, H., 2002. Determination of amorphous levels in Portland cement clinker. Powder Diffraction, 17: 178-185.
43. TAYLOR, J.C. & MATSULIS, C.E., 1991. Absorption contrast effects in the quantitative XRD analysis of powders by full multiphase profile refinement. Journal of Applied Crystallography, 24: 14-17.
44. TORAYA H., 2000. Estimation of statistical uncertainties in quantitative phase analysis using the Rietveld method and the whole-powder-pattern decomposition method. Journal of Applied Crystallography, 33: 1324-1328.
45. VON DREELE, R.B., 1997. Quantitative texture analysis by Rietveld refinement. Journal of Applied Crystallography, 30: 517-525.
46. WALENTA, G. & FÜLLMANN, T., 2004. Advances in quantitative XRD analysis for clinker, cements and cementitious additions. Powder Diffraction, 19: 40-44.
47. WEISENBERGER, T. & SPÜRGIN, S., 2009. Zeolites in alkaline rocks of the Kaiserstuhl Volcanic Complex, SW Germany - new microprobe investigation and the relationship of zeolite mineralogy to the host rock. Geologica Belgica, 12: 75-91.
48. YOUNG, R.A., 1993. The Rietveld Method. IUCr Monographs on Crystallography 5. Oxford University Press, 298 pp.