Dear friends, I tried to download and install the recent database for the "search match" software Match! by crystal impact. Following file was downloaded: ...
Hi, everyone, In Gsas' manual, I find that the relation between Biso and Uiso is Biso=8pi2*Uiso. In my opinion, they mean the same thing. I wonder whether it's...
2800
pstephens@...
Feb 23, 2012 12:14 pm
Bsio and Uiso do indeed mean essentially the same thing, thermal or quantum zero point distribution of the atom's position, related by 8*pi^2. This is the kind...
Hi,everyone, I wonder whether someone has refined these data of Round Robin QPA of IUCrCPD. Sample 4 presented a microabsorption problem. I try to refine this...
You may check a DDM-file: http://sites.google.com/site/ddmsuite/tutorials/CPD-4-DDM.zip while the intensities in cpd-4 are severely distorted since the sample...
Dear Solovyov, thank you very much! I can't access your website in this time, and I'll try it later. I know it's little possible to get the right answer from...
Dear Daxu, Microabsorption models, including the Brindley's one, are based on the LAC, not MAC – don't be confused. The Brindley correction is more-or-less...
Dear Dr Solovyov, I have downloaded your files, however I can't open cpd-4.ddm because it need special soft "DDM" programmed by you. I'd like to learn about...
DDM is freely available with GUI and easy to use: http://sites.google.com/site/ddmsuite ******************************************************* Leonid A....
Hi,everyone,I'm here again! I'm confused on some space group symbol in cif files. For example, the symmetry space group name H-M is "F d -3 m S" in the...
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Daniel M. Toebbens
Daniel.Toebbens@...
Mar 22, 2012 7:44 am
Open the cif-files of structures in "F d -3 m S" (i.e. 75708) or "F d -3 m Z" (i.e. 73021) and look at the Wyckoff positions. In "F d -3 m S" it is 8a (0,0,0),...
Dear Dr.Toebbens,thank you very much! For R-3, if the rhombohedral axe is input in Fullprof, how to modify? I wonder whether there are some differences with...
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Lujun
jlu@...
Mar 22, 2012 10:03 am
Dear daxu: There is a simple way. You just need to translate all coordinates from H(XYZ) to R(xyz) using following formula: x = Z-Y y = Z+X z = Z+Y-X ...
Dear Dr.Lujun, thank you! For example, the atom coordination of dolomite (R-3H) in 87088.cif(dolomite) file is the following: Ca1 Ca2+ 3 a 0 0 0 Mg1 Mg2+ 3 b 0...
Dear Dr.Toebbens, thank you very much! For my data, the space group of dolomite is R-3H, I used these atom parameters in 87088.cif file as the initial...
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Lujun
jlu@...
Mar 23, 2012 9:40 am
Dear daxu: After a simple calculation, i get the following: Ti 0.5 0.5 0.5 Li1 0.125 0.125 0.125 Li2 0.5 0.5 0.5 O1 0.2626 0.2626 0.2626 Faithfully Jun...
Hi,everyone, you know, 104 reflection is usually preferred in carbonates,such as dolomite and calcite.As a result, observed 104 often becomes stronger than...
Hi£¬Tony, Thanks very much! I'm browsing some papers on texture, and I have difficulty in reading them. In fact, calcite often displays strong preferred...
Dear Colleagues, we cordially invite you to the SMARTER 3 conference, held in the University of Versailles Saint Quentin en Yvelines (France), September 10-13,...
Dear All: I didn't find anyone giving a datum for (333) reflection of MgAl2O4 in the PDF database. What's the reason? I don't find any reason for it to be a...
In the cubic system the d-spacing of 333 is identical to that of 511. For exactly overlapped peaks PDF includes only one hkl sequence (for MgAl2O4 this is...
