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RE: [sdpd] S2- scattering factor coefficients

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      <p>Hi Leonid,<br>
<br>
16  S<br>
<br>
a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5<br>
<br>
6.372157  5.154568  1.473732  1.635073  1.209372  0.154722   1.514347<br>
22.092527  0.061373 55.445175  0.646925  <br>
<br>
This data set was calculated by D. Waasmaier &amp; A. Kirfel.     <br>
<br>
These data, computed for neutral atoms and ions are valid for the full<br>
range of sin(theta)/lambda from 0.0 to 6.0 A-1.This table have been<br>
developed from fits of o linear combination of five Gaussians to the values<br>
of the scattering factors tabulated in &quot;International tables for<br>
Crystallography (1992) [Vol. C. Dordrecht: Kluwer Academic Publishers]. <br>
<br>
For a detailed discussion of the underlying validity of the information<br>
contained in these directories see, for example:  <br>
<br>
New Analytical Scattering Factor Functions for Free Atoms and Ions for Free<br>
Atoms and Ions  <br>
<br>
D. Waasmaier &amp; A. Kirfel              <br>
<br>
Acta Cryst. (1995). A51, 416-413                      <br>
<br>
for the non-dispersive part of the atomic scattering factor is a function of<br>
the selected element and of sin(theta)/lambda, where         lambda is the<br>
photon wavelength and theta is incident angle.       <br>
<br>
This function can be approximated by a function:                         <br>
<br>
f0[k] = c + [SUM a_i*EXP(-b_i*(k^2)) ]                                    <br>
<br>
i=1,5<br>
<br>
where k = sin(theta) / lambda and c, a_i and b_i  are the coefficients<br>
tabulated in this file (in columns:      a1  a2  a3  a4  a5  c  b1  b2  b3<br>
b4  b5 <br>
<br>
Yours Sincerely<br>
-------------------<br>
<br>
Xiaodong (Tony) Wang<br>
Department of Imaging and Applied Physics<br>
<br>
Curtin University<br>
<br>
From: <a href="mailto:sentto-1052548-2673-1309932469-iangie%3D126.com%40returns.groups.yahoo.com";>sentto-1052548-2673-1309932469-iangie=126.com...@returns.groups.yahoo.com</a><br>
[mailto:<a href="mailto:sentto-1052548-2673-1309932469-iangie%3D126.com%40returns.groups.yahoo.c";>sentto-1052548-2673-1309932469-iangie=126.com...@returns.groups.yahoo.c</a><br>
om] On Behalf Of L_Solovyov<br>
Sent: 2011Äê7ÔÂ6ÈÕ 14:08<br>
To: <a href="mailto:sdpd%40yahoogroups.com";>sdpd...@yahoogroups.com</a><br>
Subject: [sdpd] S2- scattering factor coefficients<br>
<br>
Dear Colleagues,<br>
<br>
Could you, please, send me (or give a reference to) the X-ray scattering<br>
factor coefficients [a1 b1 a2 b2 a3 b3 a4 b4 c] of the S2- ion. I know that<br>
some calculations were given in Acta Cryst. (1993) 91-97, but maybe there<br>
are other variants?<br>
<br>
Thanks in advance,<br>
Leonid<br>
<br>
*******************************************************<br>
Leonid A. Solovyov<br>
Institute of Chemistry and Chemical Technology <br>
660049, K. Marx 42, Krasnoyarsk, Russia<br>
<a href="http://sites.google.com/site/solovyovleonid";>http://sites.google.com/site/solovyovleonid</a><br>
*******************************************************<br>
<br>
[Non-text portions of this message have been removed]<br>
<br>
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