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Re: [sdpd] calibration problems with Silicon+gsas
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<p>Hello, All: <br>
<br>
Thanks to the suggestion from Prof. Gottschalk, i took (1/8,1/8,1/8) origin instead of (0,0,0). It is much improved and it shows the calibration sample has no problem, but current match cannot be better enough. <br>
<br>
Nevertheless, whether the device's state was suitable for refinement analysis or not is still unclear, and i still doubt whether the peakshapes produced by the device can be well descriped by type-3 parameters. <br>
Moreover, i am also doubting whether this rough parameters, as shown in the webpage, are somehow reproducible for other materials when all the measurement conditions are the same. <br>
<br>
The discussion webpage has been updated, please see more pictures via: <br>
<a href="http://www.physik.uni-augsburg.de/~lujun/";>http://www.physik.<wbr>uni-augsburg.<wbr>de/~lujun/</a> <br>
<br>
Faithfully <br>
Jun Lu <br>
---------- <br>
Lst. Prof. Lijie Qiao <br>
Department of Materials Physics and Chemistry <br>
University of Science and Technology Beijing <br>
100083 Beijing <br>
P.R. China <br>
<a href="http://www.instrument.com.cn/ilog/handsomeland/";>http://www.instrume<wbr>nt.com.cn/<wbr>ilog/handsomelan<wbr>d/</a> <br>
<br>
Lst. Prof. Loidl and Lunkenheimer <br>
Experimental Physics V <br>
Center for Electronic Correlations and Magnetism (EKM) <br>
University of Augsburg <br>
Universitaetsstr. 2 <br>
86159 Augsburg <br>
Germany <br>
<a href="http://www.physik.uni-augsburg.de/exp5";>http://www.physik.<wbr>uni-augsburg.<wbr>de/exp5</a> <br>
<br>
----- Original Message ----- <br>
From: Matthias Gottschalk <br>
To: <a href="mailto:sdpd%40yahoogroups.com";>sdpd...@yahoogroups.<wbr>com</a> <br>
Sent: Tuesday, June 10, 2008 6:58 PM <br>
Subject: Re: [sdpd] calibration problems with Silicon+gsas <br>
<br>
<br>
In spacegroup F d 3- m there a 2 origins. <br>
Put the Si on 1/8 1/8 1/8 instead of 0 0 0. <br>
<br>
The Stadi P is a brilliant instrument (curved Ge <br>
monochromator, PSD). We use it (2 of them) in conjunction <br>
with GSAS now for 14 years without problems. However some <br>
crystallographic knowledge helps when doing Rietveld <br>
refinements. <br>
<br>
Matthias Gottschalk <br>
<br>
On Tue, 10 Jun 2008 17:09:03 +0200 <br>
"Lujun...@EKM" <<a href="mailto:jun.lu%40physik.uni-augsburg.de";>jun.lu...@physik.<wbr>uni-augsburg.<wbr>de</a>> wrote: <br>
> Hello, crystallographical experts: <br>
> <br>
> i had never got a satisfying refinement solution for <br>
>my interesting materials, so i began to doubt our X-ray <br>
>device (STADI-P, STOE Company): was it capable of <br>
>structural refining or just not well calibrated? This is <br>
>the motivation for my calibration refining work. <br>
> The raw data was collected and can be easily indexed. <br>
>i was happy for a while, but when the refinement work was <br>
>tried, i became dispointed. Whatever i tried, the match <br>
>betrween raw data and calculation was always bad: there <br>
>were no calculation intensities in some positions where <br>
>should be, and in other positions also were there no <br>
>experimental peaks where should be. <br>
> Would anyone like to point out some reasons for such <br>
>situation? In particular, the most important question for <br>
>me is whether our STADI-P device suitable for refinement <br>
>experiments or not. If so, i have no choice but to throw <br>
>away all my previous refinement work. :( <br>
> <br>
> All the related files has been attached along with this <br>
>mail (raw data with raw format, gsas format and ascii <br>
>format; instrument data where parameters are estimated <br>
>using CMPR programme; one well-cited published CIF file <br>
>for silicon; and the hkl files after indexing with <br>
>PowderX). <br>
> <br>
> Your reply will be quite appreciated. <br>
> <br>
> <br>
> <br>
>Faithfully <br>
> Jun Lu <br>
> ---------- <br>
> Lst. Prof. Lijie Qiao <br>
> Department of Materials Physics and Chemistry <br>
> University of Science and Technology Beijing <br>
> 100083 Beijing <br>
> P.R. China <br>
> <a href="http://www.instrument.com.cn/ilog/handsomeland/";>http://www.instrume<wbr>nt.com.cn/<wbr>ilog/handsomelan<wbr>d/</a> <br>
> <br>
> Lst. Prof. Loidl and Lunkenheimer <br>
> Experimental Physics V <br>
> Center for Electronic Correlations and Magnetism (EKM) <br>
> University of Augsburg <br>
> Universitaetsstr. 2 <br>
> 86159 Augsburg <br>
> Germany <br>
> <a href="http://www.physik.uni-augsburg.de/exp5";>http://www.physik.<wbr>uni-augsburg.<wbr>de/exp5</a> <br>
> <br>
> <br>
> [Non-text portions of this message have been removed] <br>
> <br>
<br>
<br>
<br>
<br>
<br>
[Non-text portions of this message have been removed]<br>
<br>
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