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Quantification of phases with partial or no known crystal structures

Published online by Cambridge University Press:  01 March 2012

Nicola V. Y. Scarlett  and
Ian C. Madsen
Nicola V. Y. Scarlett
Affiliation:
CSIRO Minerals, Box 312, Clayton South, Victoria, 3169, Australia
Ian C. Madsen
Affiliation:
CSIRO Minerals, Box 312, Clayton South, Victoria, 3169, Australia
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Abstract

Quantification of mixtures via the Rietveld method is generally restricted to crystalline phases for which structures are well known. Phases that have not been identified or fully characterized may be easily quantified as a group, along with any amorphous material in the sample, by the addition of an internal standard to the mixture. However, quantification of individual phases that have only partial or unknown structures is carried out less routinely. This paper presents methodology for quantification of such phases. It outlines the procedure for calibration of the method and gives detailed examples from both synthetic and mineralogical systems. While the method should, in principle, be generally applicable, its implementation in the TOPAS program from Bruker AXS is demonstrated here.

Keywords

powder diffractionRietveldquantitative phase analysis
Type
Technical Articles
Information
Powder Diffraction , Volume 21 , Issue 4 , December 2006 , pp. 278 - 284
Copyright
Copyright © Cambridge University Press 2006

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References

Bayliss, P. (1989). “Unit-cell determinations of two-dimensional clay minerals,” Powder Diffr. PODIE2 4, 19–20.CrossRefGoogle Scholar
Bruker AXS (2003). Topas V2.1: General Profile and Structure Analysis Software for Powder Diffraction Data ed. Bruker AXS, Karlsruhe.Google Scholar
Dollase, W. A. (1986). “Correction of intensities for preferred orientation in powder diffractometry: Application of the March model,” J. Appl. Crystallogr. JACGAR 10.1107/S0021889886089458 19, 267–272.CrossRefGoogle Scholar
Elias, M. (2002). “Nickel Laterite Deposits–Geological Overview, Resources and Exploitation” in Giant Ore Deposits: Characteristics, Genesis and Exploration, edited by Cooke, D. R. and Pongratz, J. (CODES Special Publication 4, Centre for Ore Deposit Research, University of Tasmania), pp. 205–220.Google Scholar
Hill, R. J., and Howard, C. J. (1987). “Quantitative phase analysis from neutron powder diffraction data using the Rietveld method,” J. Appl. Crystallogr. JACGAR 10.1107/S0021889887086199 20, 467–474.CrossRefGoogle Scholar
ICDD (1999). “Powder Diffraction File,” International Centre for Diffraction Data, edited by McClune, Frank, 12 Campus Boulevard, Newtown Square, PA, 19073-3272.Google Scholar
Le Bail, A., Duroy, H., and Fourquet, J. L. (1988). “Ab-initio structure determination of LiSbWO6 by X-ray powder diffraction,” Mater. Res. Bull. MRBUAC 10.1016/0025-5408(88)90019-0 23, 447–452.Google Scholar
Madsen, I. C., and Scarlett, N. V. Y. (1999). “Cement: Quantitative Phase Analysis of Portland Cement Clinker” in Industrial Applications of X-ray Diffraction, edited by Chung, F. H. and Smith, D. K. (Marcel Dekker, New York), pp. 415–440.Google Scholar
Madsen, I. C, Scarlett, N. V. Y., Cranswick, L. M. D., and Lwin, T. (2001). “Outcomes of the IUCR CPD Round Robin on quantitative phase analysis: Samples 1a to 1h,” J. Appl. Crystallogr. JACGAR 10.1107/S0021889801007476 34, 409–426.CrossRefGoogle Scholar
Manceau, A., Chateigner, D., and Gates, W. P. (1998). “Polarized EXAFS, distance-valence least-squares modeling (DVLS), and quantitative texture analysis approaches to the structural refinement of Garfield nontronite,” Phys. Chem. Miner. PCMIDU 25, 347–365.CrossRefGoogle Scholar
March, A. (1932). “Mathematische theorie der regelung nach der korngestalt bei affiner deformation,” Z. Kristallogr. ZEKRDZ 81, 285–297.Google Scholar
Rietveld, H. M. (1969). “A profile refinement method for nuclear and magnetic structures,” J. Appl. Crystallogr. JACGAR 10.1107/S0021889869006558 2, 65–71.CrossRefGoogle Scholar
Scarlett, N. V. Y., Madsen, I. C., Manias, C., and Retallack, D. (2001). “On-line X-ray diffraction for quantitative phase analysis: Application in the Portland cement industry,” Powder Diffr. PODIE2 10.1154/1.1359796 16, 71–80.Google Scholar
Taylor, J. C., and Rui, Z. (1992). “Simultaneous Use of Observed and Calculated Standard Profiles in Quantitative XRD Analysis of Minerals by the Multiphase Rietveld Method: The Determination of Pseudorutile in Mineral Sands Products,” Powder Diffr. PODIE2 7, 152–161.CrossRefGoogle Scholar