Re: Problems with getting the structure right for Rietveld

2004-10-15 Thread Guilhem DEZANNEAU
Hello, also some programs like powdercell are very usefull to check the atomic positions, since several sets can be used to represent a same structure... regards Guilhem ___ Dr. G. DEZANNEAU Electronics Dept, University of Barcelona, Marti i Franquès, 1 0

Problems with getting the structure right for Rietveld

2004-10-15 Thread Alan Hewat
>i read this article but i couldn't fit the XRD pattern with these parameters. It is not uncommon that some small error, often with the symmetry specification, means that the calculated profile doesn't look like that measured. Before cranking the Rietveld handle, please draw the structure and c