Tables for
Volume H
Powder diffraction
Edited by C. J. Gilmore, J. A. Kaduk and H. Schenk

International Tables for Crystallography (2018). Vol. H, ch. 3.9, pp. 344-373

Chapter 3.9. Quantitative phase analysis

I. C. Madsen,a* N. V. Y. Scarlett,a R. Kleebergb and K. Knorrc

aCSIRO Mineral Resources, Private Bag 10, Clayton South 3169, Victoria, Australia,bTU Bergakademie Freiberg, Institut für Mineralogie, Brennhausgasse 14, Freiberg, D-09596, Germany, and cBruker AXS GmbH, Oestliche Rheinbrückenstr. 49, 76187 Karlsruhe, Germany
Correspondence e-mail:


1 It is worth noting that the grain-size effect becomes even more of an issue as the divergence of the instrument is decreased with, for example, high-resolution laboratory or synchrotron-based instruments, since fewer crystallites are likely to meet the diffraction condition.
2 When calculating phase density from crystallographic parameters, a factor of 1.6604 = 1024/6.022 × 1023 is needed to convert ρ in a.m.u. Å−3 to g cm−3.
3 It should be noted that the implementation of the matrix-flushing method by Bish and Howard retains the use of phase density, but their approach is essentially the same as that of Hill and Howard.
4 Australian Synchrotron beamtime award number AS091/PD1035.