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Quantitative phase analysis from neutron powder diffraction data using the Rietveld method
Abstract
The weight of a phase in a mixture is proportional to the product of the scale factor, as derived in a multi-component Rietveld analysis of the powder diffraction pattern, with the mass and volume of the unit cell. If all phases are identified and crystalline, the weight fraction W of phase p is given by W_{p} = S_{p}(ZMV)_{p}/\sum_{i}S_{i}(ZMV)_{i},where S, Z, M and V are, respectively, the Rietveld scale factor, the number of formula units per unit cell, the mass of the formula unit and the unit-cell volume. This is the basis of a method providing accurate phase analyses without the need for standards or for laborious experimental calibration procedures. The method is demonstrated by measurements on binary mixtures of rutile, corundum, silicon and quartz.
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Citations
Cited by
Taylor, J. C. (1991) · Powder Diffraction · doi:10.1017/s0885715600016778 · Cited by 553
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Bots, P., Benning, L. G., Rodriguez-Blanco, J.-D., Roncal-Herrero, T., & Shaw, S. (2012) · Crystal Growth & Design · doi:10.1021/cg300676b · Cited by 474
Oviedo, F., Ren, Z., Sun, S., Settens, C., Liu, Z., Hartono, N. T. P., Ramasamy, S., DeCost, B. L., Tian, S. I. P., Romano, G., et al. (2019) · npj Computational Materials · doi:10.1038/s41524-019-0196-x · Cited by 327
Wilson, S., Harrison, A. L., Dipple, G. M., Power, I. M., Barker, S. L. L., Ulrich Mayer, K., Fallon, S. J., Raudsepp, M., & Southam, G. (2014) · International Journal of Greenhouse Gas Control · doi:10.1016/j.ijggc.2014.04.002 · Cited by 181
Reactive transport modeling of natural carbon sequestration in ultramafic mine tailings
Bea, S. A., Wilson, S. A., Mayer, K. U., Dipple, G. M., Power, I. M., & Gamazo, P. (2012) · Vadose Zone Journal · doi:10.2136/vzj2011.0053 · Cited by 120
Metadata
- Authors
- Hill, R. J., & Howard, C. J.
- Venue
- Journal of Applied Crystallography
- Published
- 1987-12-01
- Volume
- 20
- Issue
- 6
- Pages
- 467-474
- ISSN
- 0021-8898 (ISSN-L)
- OpenAlex
- W2033047492
- Cited by
- 1,309
- References
- 0
- FWCI
- 7.89
- Type
- journal article
- Language
- en
- Open access
- closed
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- Hill, R. J., & Howard, C. J. (1987). Quantitative phase analysis from neutron powder diffraction data using the Rietveld method. Journal of Applied Crystallography. https://doi.org/10.1107/s0021889887086199
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