Hi again,
Thanks for your prompt answers, Ezra & paul. I am answering both your
emails
together as they are related:
The scattering parameters I am using for the mercury come directly from
the
directly from the scatter library of XPLOR and have the following
values:
SCATter ( chemical "Hg" or chemical "HG" )
20.6809 0.545 19.0417 8.4484 21.6575 1.5729 5.9676 38.3246 12.6089
SCATter ( chemical "Hg+1" or chemical "HG+1" )
25.0853 1.39507 18.4973 7.65105 16.8883 0.443378 6.48216 28.2262
12.0205
SCATter ( chemical "Hg+2" or chemical "HG+2" )
29.5641 1.21152 18.06 7.05639 12.8374 0.284738 6.89912 20.7482 10.6268
I did start with the "HG" values first and ended up getting a large
positive
peak on the mercury as well as abnormally low Bs of 1 or so! I then
realized
that the HG scatters are quite a bit larger than the atomic value. From
what I could understand using my limited inorganic chemistry - I thought
Hg+2
was the correct ion to use. But perhaps I am mistaken & should use
Hg+1? I
know Hg exhibts some wierd chemistry!
Thanks,
Sangita.
