HfO2
Try to refine absorption correction. I believe one of the function in GSAS is designed for capillary. Peter Zavalij Dr. Peter Y. Zavalij University Crystallographer Institute for Materials Research and Chemistry Department Binghamton University, SUNY, Vestal Pkwy, East Binghamton, NY 13902, USA Tel: (607)777-4298Fax: (607)777-4623 E-mail:[EMAIL PROTECTED] http://materials.binghamton.edu/zavalij -Original Message- From: Henry Hsu [mailto:[EMAIL PROTECTED] Sent: Friday, March 12, 2004 2:44 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 _ Store more e-mails with MSN Hotmail Extra Storage - 4 plans to choose from! http://click.atdmt.com/AVE/go/onm00200362ave/direct/01/
HfO2
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 _ Store more e-mails with MSN Hotmail Extra Storage - 4 plans to choose from! http://click.atdmt.com/AVE/go/onm00200362ave/direct/01/
Atom site in YAG crystal
Dear friends: I am trying to refine the structure of Yttrium Aluminum Oxide (Y3Al5O12) YAG but I could not get the atom sites? Could anyone who know this please friendly tell me? Thank you. Regards, Ren-Guan Dr. Ren-Guan DUAN Department of Chemical Engineering and Materials Science University of California, Davis One Shields Avenue Davis, CA 95616 Lab. Phone: (530)752-6290 Fax: (530)752-9554 Email: [EMAIL PROTECTED]
