RE: [Ifeffit] relation between DW factors in uranyls
This is in response to Shelly's post for MS references. For linear multiple scattering, I like to use this paper:
Hudson, EA; et. al. (1996) Phys Rev B 54(1) 156-165
It uses the uranyl ion specifically in this example and has a short section in the introduction about the relations between single and multiple scattering D-W parameters.
Hope this is vaguely what you were looking for....
Sam
Hi Sam and John, I just wanted to say thank-you to the ifeffit mailing list. Sam, the reference was indeed helpful. And thanks to John for his derivation. This is what I learned about relating sigma2 values for the uranyl. For a linear uranyl moiety (UO2), where the atoms are all in a line O1-U-O2, the sigma2 values can be approximated like this: U-O1-U: sigma2-s.s. (single scattering sigma2) U-O1-U-O1-U: sigma2 = 4 * sigma2-s.s. U-O1-U-O2-U: sigma2 ~ 2 * sigma2-s.s. U-O1-O2-U: sigma2 ~ 2 * sigma2-s.s. This information has been published in Hudson et al. PRB V54 n1, pg 156 (1996). Shelly
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Kelly, Shelly D.