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[sdpd] Re: S2- scattering factor coefficients
- To: sdpd...@yahoogroups.com
- Subject: [sdpd] Re: S2- scattering factor coefficients
- From: "L_Solovyov" <l_solovyov...@yahoo.com>
- Date: Thu, 21 Jul 2011 03:53:24 -0000
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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 & Lichanot in Acta Cryst. A (1993) 91. In the paper they "promised" 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>, "Xiaodong Wang" <iangie...@...> wrote:<br>
><br>
> Hi Leonid,<br>
> <br>
> <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>
> <br>
> <br>
> <br>
> <br>
> <br>
> <br>
> This data set was calculated by D. Waasmaier & 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 "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 & A. Kirfel <br>
> <br>
> Acta Cryst. (1995). A51, 416-413 <br>
> <br>
> <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>
> <br>
> <br>
> f0[k] = c + [SUM a_i*EXP(-b_i*(k^2)) ] <br>
> <br>
> i=1,5<br>
> <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>
> <br>
> <br>
> <br>
> <br>
> Yours Sincerely<br>
> -------------------<br>
> <br>
> Xiaodong (Tony) Wang<br>
> Department of Imaging and Applied Physics<br>
> <br>
> Curtin University<br>
> <br>
> <br>
> <br>
> From: sentto-1052548-2673-1309932469-iangie=126.com...@...<br>
> [mailto:sentto-1052548-2673-1309932469-iangie=126.com...@...<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>
> <br>
> <br>
> <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>
> <br>
> <br>
> <br>
> <br>
> [Non-text portions of this message have been removed]<br>
><br>
<br>
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