Zeolite

Matthew Helmkamp ( helmkamp@cco.caltech.edu )
Fri, 4 Aug 1995 17:04:11 -0700

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I'm refining a zeolite structure using GSAS. The location of calculated
peaks corresponds pretty well to the experimental data (powder,synchrotron);
however, the intensities in the 17-25 degree 2 theta region are consistently
lower for the calculated pattern than the experimental pattern. Any ideas
here? I can sometimes get a little better intensity agreement, but then the
difference curve shows me being too low and too high on the same peak. Is
there any way to broaden the calculated peak?

One more question--what is a general rule for the number of background terms?
Adding more terms lowers the Rp value, but I don't want to get a false
agreement from the background.

Thanks for your help.

Matt Helmkamp
Graduate Student, Caltech

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