Henry,
Do you have the correct polarization correction (POLA=0.95, IPOL=0) fro synchrotron 
radiation? Did you just use the defaults for Uiso (=0.025)? If so that is too high for 
something like HfO2 for which UISO might be closer to 0.004. Either of these would do 
what you observe.
Bob Von Dreele


-----Original Message-----
From: Henry Hsu [mailto:[EMAIL PROTECTED]
Sent: Fri 3/12/2004 1:43 AM
To: [EMAIL PROTECTED]
 
Dear All,

I've been processing a synchrotron XRD pattern of HfO2 using GSAS, but I 
have not got satisfactory fits to the intensities. At low angles, my 
calculated peaks are always higher than the observed peaks, whereas the 
opposite is true for the high angle peaks. I used a capillary sample, and I 
fixed the absorption coefficient to the value calculated from the sample 
packing density. Any suggestions? Thanks.

Harry

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  • HfO2 Henry Hsu
    • HfO2 zavalij
    • Von Dreele, Robert B.

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