Re: GSAS: Microstrain parameters in rhombohedral SGs

2008-10-27 Thread Andreas Leineweber
Dear Mr. Werner, this sounds for me like that there would be a problem in GSAS. If you look to the formulas at page 155 of the GSAS manual, in all trigonal/rhombohedral Laue groups there is no separate S004 for rhombohedral settings (in fact S400 = S004). But for the hexagonal settings (not

Quantitative analysis

2008-10-27 Thread mariomacias
Dear all, I have this question, I have been refined one mixture (of well-know percentage composition) of CaCO3, CaF2, SiO2 and Al2O3, with preferential orientation in CaCO3 (104) and CaF2 (111) with good results. When I add to the mixture FeCO3 and I refine with preferential orientation (104),

RE: Quantitative analysis

2008-10-27 Thread Kurt Leinenweber
Dear Mario, If the quantity of FeCO3 appears to be smaller than the actual value, then it could be due to absorption. If you are using a copper source (CuKalpha) then that excites iron fluorescence, which is radiated equally in all directions... this means that the beam does not penetrate the

RE: Quantitative analysis

2008-10-27 Thread Martin
Dear Mario, My experience of quant Rietveld is much the same as yours - poor quant result if using any sort of PO function. Advise as others have here - reduce PO. Capillary geometry may help in many instances but in this case could then have problems with absorption seeing as you will most