On 07/04/2014 09:27 AM, Scott Calvin wrote:
But some people (Joe Woicik comes to mind) have pointed out that sometimes you do know what bond length would correspond to which Z. As an example, you might be trying to determine which of two possible known structures is found in a nanoparticulate sample. Each candidate structure might have bond lengths that are well known. In that case, bond length would not be a free parameter, but would be fixed to the appropriate value for each fit. In a case like that, a change in Z of 1 is often distinguishable; i.e., there is no ± 5 rule.
Bond valence sums can be useful also. B -- Bruce Ravel ------------------------------------ bravel@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 Homepage: http://xafs.org/BruceRavel Software: https://github.com/bruceravel