Re: Problems using TOPAS R (Rietveld refinement)

2007-03-13 Thread Lubomir Smrcok
Or, to see how bad the results from Rietveld refinements of kaolintes are try review paper in Zeitschrift fuer Kristallographie 210(3) 177-183, 1997 lubo smrcok On Wed, 14 Mar 2007, Alan Hewat wrote: > Reinhard Kleeberg said: > > There are not so much trials published to find a > > working solu

Re: Problems using TOPAS R (Rietveld refinement)

2007-03-13 Thread Alan Hewat
Reinhard Kleeberg said: > There are not so much trials published to find a > working solution for practical Rietveld quantification of clays. One > would be a self-citation of a paper, so I can't do this here in the list. A good one is :-) Pitfalls in Rietveld Phase Quantification of Complex Samp

Re: Problems using TOPAS R (Rietveld refinement)

2007-03-13 Thread Reinhard Kleeberg
Leandro, the refinement/profile fitting of kaolinite-bearing samples is strongly affected by disorder of natural kaolinites. The atomic coordinates in ICSD (for example Bish and von Dreele) have been derived from the best ordered samples known on earth, mainly Keokuk site. "Real-world" kaolin

Re: Problems using TOPAS R (Rietveld refinement)

2007-03-13 Thread Alan Hewat
Leandro Bravo said: > I don´t think that the kaolinite CIF that I´m using is working well, I´m > refining the temperature factors and it´s giving me non realistic numbers. > Can somebody send me a trustable kaolinite CIF, with good temperature > factors?! You will find a dozen papers on the struct

Re: Problems using TOPAS R (Rietveld refinement)

2007-03-13 Thread Leandro Bravo
Ok... another problem... I don´t think that the kaolinite CIF that I´m using is working well, I´m refining the temperature factors and it´s giving me non realistic numbers. Can somebody send me a trustable kaolinite CIF, with good temperature factors?! Other doubt... I´m making my scans fro

ICSD version 2007-1 updated to 97376 structures

2007-03-13 Thread Alan Hewat
The ICSD database version 2007-1 contains 3656 new structures for a total of 97376. Note that these are complete inorganic structures with atomic coordinates, not just unit cell dimensions and/or peak intensities :-) There are already some publications for 2007. ICSD-for-WWW now allows block exp

RIET: Seventh Canadian Powder Diffraction Workshop - 16th to

2007-03-13 Thread Lachlan Cranswick
Seventh Canadian Powder Diffraction Workshop Pavillon Ringuet, Université du Québec à Trois-Rivières, Québec, Canada Wednesday 16th to Friday 18th of May, 2007 http://www.cins.ca/cpdw/ The third day of workshop is PDF (Pair Distribution Fu