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[sdpd] Re: S2- scattering factor coefficients



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      <p>Dear Xiaodong,<br>
<br>
Thank you for the reference, I know this work, but it gives the coefficients for neutral S atom only, not for the S2- ion. It seems that the only available variant for S2- is that of Azavant &amp; Lichanot in Acta Cryst. A (1993) 91. In the paper they &quot;promised&quot; to refine the coefficients in the future, but, probably have not succeeded.<br>
<br>
Best regards,<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>
--- In <a href="mailto:sdpd%40yahoogroups.com";>sdpd...@yahoogroups.com</a>, &quot;Xiaodong Wang&quot; &lt;iangie...@...&gt; wrote:<br>
&gt;<br>
&gt; Hi Leonid,<br>
&gt; <br>
&gt;  <br>
&gt; <br>
&gt; 16  S<br>
&gt; <br>
&gt; a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5<br>
&gt; <br>
&gt; 6.372157  5.154568  1.473732  1.635073  1.209372  0.154722   1.514347<br>
&gt; 22.092527  0.061373 55.445175  0.646925  <br>
&gt; <br>
&gt;  <br>
&gt; <br>
&gt;  <br>
&gt; <br>
&gt;  <br>
&gt; <br>
&gt; This data set was calculated by D. Waasmaier &amp; A. Kirfel.     <br>
&gt; <br>
&gt; These data, computed for neutral atoms and ions are valid for the full<br>
&gt; range of sin(theta)/lambda from 0.0 to 6.0 A-1.This table have been<br>
&gt; developed from fits of o linear combination of five Gaussians to the values<br>
&gt; of the scattering factors tabulated in &quot;International tables for<br>
&gt; Crystallography (1992) [Vol. C. Dordrecht: Kluwer Academic Publishers]. <br>
&gt; <br>
&gt; For a detailed discussion of the underlying validity of the information<br>
&gt; contained in these directories see, for example:  <br>
&gt; <br>
&gt; New Analytical Scattering Factor Functions for Free Atoms and Ions for Free<br>
&gt; Atoms and Ions  <br>
&gt; <br>
&gt; D. Waasmaier &amp; A. Kirfel              <br>
&gt; <br>
&gt; Acta Cryst. (1995). A51, 416-413                      <br>
&gt; <br>
&gt;                                                                          <br>
&gt; <br>
&gt; for the non-dispersive part of the atomic scattering factor is a function of<br>
&gt; the selected element and of sin(theta)/lambda, where         lambda is the<br>
&gt; photon wavelength and theta is incident angle.       <br>
&gt; <br>
&gt; This function can be approximated by a function:                         <br>
&gt; <br>
&gt;                                                     <br>
&gt; <br>
&gt;   f0[k] = c + [SUM a_i*EXP(-b_i*(k^2)) ]                                    <br>
&gt; <br>
&gt;                       i=1,5<br>
&gt; <br>
&gt; <br>
&gt;   where k = sin(theta) / lambda and c, a_i and b_i  are the coefficients<br>
&gt; tabulated in this file (in columns:      a1  a2  a3  a4  a5  c  b1  b2  b3<br>
&gt; b4  b5 <br>
&gt; <br>
&gt;  <br>
&gt; <br>
&gt;  <br>
&gt; <br>
&gt; Yours Sincerely<br>
&gt; -------------------<br>
&gt; <br>
&gt; Xiaodong (Tony) Wang<br>
&gt; Department of Imaging and Applied Physics<br>
&gt; <br>
&gt; Curtin University<br>
&gt; <br>
&gt;  <br>
&gt; <br>
&gt; From: sentto-1052548-2673-1309932469-iangie=126.com...@...<br>
&gt; [mailto:sentto-1052548-2673-1309932469-iangie=126.com...@...<br>
&gt; om] On Behalf Of L_Solovyov<br>
&gt; Sent: 2011Äê7ÔÂ6ÈÕ 14:08<br>
&gt; To: <a href="mailto:sdpd%40yahoogroups.com";>sdpd...@yahoogroups.com</a><br>
&gt; Subject: [sdpd] S2- scattering factor coefficients<br>
&gt; <br>
&gt;  <br>
&gt; <br>
&gt;   <br>
&gt; <br>
&gt; Dear Colleagues,<br>
&gt; <br>
&gt; Could you, please, send me (or give a reference to) the X-ray scattering<br>
&gt; factor coefficients [a1 b1 a2 b2 a3 b3 a4 b4 c] of the S2- ion. I know that<br>
&gt; some calculations were given in Acta Cryst. (1993) 91-97, but maybe there<br>
&gt; are other variants?<br>
&gt; <br>
&gt; Thanks in advance,<br>
&gt; Leonid<br>
&gt; <br>
&gt; *******************************************************<br>
&gt; Leonid A. Solovyov<br>
&gt; Institute of Chemistry and Chemical Technology <br>
&gt; 660049, K. Marx 42, Krasnoyarsk, Russia<br>
&gt; <a href="http://sites.google.com/site/solovyovleonid";>http://sites.google.com/site/solovyovleonid</a><br>
&gt; *******************************************************<br>
&gt; <br>
&gt; <br>
&gt; <br>
&gt; <br>
&gt; <br>
&gt; [Non-text portions of this message have been removed]<br>
&gt;<br>
<br>
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