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[sdpd] Indexing Problem
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- Subject: [sdpd] Indexing Problem
- From: "alireza" <alsa38...@gmail.com>
- Date: Sun, 30 Jan 2011 11:25:18 -0000
- Delivered-to: lebail...@univ-lemans.fr
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Hello
I want to determine the crystal structure of small organic compound form powder diffraction data which has been collected by STOE diffractometer. In fact, I use DICVOL, ITO, TREOR, and MCMaille program and the results of Dicvol and MacMaille indicated to Monoclinic system with a=10.78, b=11.30, c=17.68 and beta=119.40 M(18)=11 F(18)=20 parameters. When I use this cell parameters in the solution stage with FOX software and choose the P2/c space group (Le Bail fit 17% Rwp), in the optimization process, the low angle of pattern match well until 25 degree(2theta) but the higher angle which contain two major peaks with highest intensities have the very low intensity in the Bragg reflection related to these peaks.
I don't know, does the problem relate to unit cell or space group?
Thanks for your attention.
Best Wishes
Alireza
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