Re: isotropic displacement parameter

2014-11-02 Thread Alan Hewat
If your refinement looks good it doesn't necessarily mean your model is true, just that you have a lot of parameters :-) Negative temperature factors mean that your refinement is trying to add intensity at high angles, the opposite of the temperature effect. This may mean that you haven't correcte

Re: isotropic displacement parameter

2014-11-02 Thread Leonid Solovyov
The reason may be in the absorption (as noted by Alan Hewat) for capillary samples or in the surface roughness effect for flat samples. ***Leonid A. Solovyov Institute of Chemistry and Chemical Technology 660036, Akademgorodok 50/24, Krasnoyar

FW:

2014-11-02 Thread Igor Djerdj
Hi, I wonder whether anyone has a cif file of Ca2MnTeO6 or at least structural data? Best, Igor Doc. dr. sc. Igor Djerdj Senior Scientist Division of Materials Physics Rudjer Boskovic Institute Bijenicka 54 1 Zagreb, Croatia Tel. +38514680113 Fax. +38514680114 E-mail: igo