Re: 答复: Le bail and rietveld method

Probably the sample height has shifted due to thermal contraction. Not likely a zero shift. Andrew From: Peng, Jin Date: June 14, 2016 at 7:55:29 PM EDT To: rietveld_l@ill.fr Subject: 答复: Le bail and rietveld method Low temperature x-ray diffraction on Powder

答复: Le bail and rietveld method

Low temperature x-ray diffraction on Powdered single crystals was taken from 5 to 80 degree with step size 0.02. The intensity of strongest peak is around 1. Space group is Bb21m. The zero shift is quite large for both methods refinements. In GSAS, it is around -30. 发件人: rietveld_l-requ...

RE: atomic position

As a point of semantics, how exactly is copyright enforced with respect to the content of these databases? The crystal structures are in most cases published elsewhere, so there is no way that ICDD or ICSD can "own" them in any way. And even if claimed they did, can a crystal structure actually

Re: Le bail and rietveld method

Dear Jin, Tell us about the parameters used in the analysis, such as step size. Lucas Bonan Gomes. Em 14/06/2016 13:32, Peng, Jin escreveu: Dear Collegues: I am recently working on the structure refinement of some inorganic single crystals. I got the structure parameters from two ways: 1.

Le bail and rietveld method

Dear Collegues: I am recently working on the structure refinement of some inorganic single crystals. I got the structure parameters from two ways: 1. Single crystal x-ray refinement; 2. Low temperature x-ray diffraction on Powdered single crystals. I refined the powder x-ray diffrac

Re: atomic position

So far as I know (I may be wrong :-) ordered atomic positions for the two requested compounds, with supposed formulae *Ba2TeO4 *and *Ba2TeO5*, have not been determined. The closest I found were as I wrote: *"Sr Te O6 and Ba Te O6

Re: atomic position

Dear All, For more information about the PDF-4+, feel free to visit the following page: http://www.icdd.com/products/pdf4.htm Kind Regards, Miguel Delgado On 6/14/2016 4:16 AM, Matteo Leoni wrote: dear everybody, I think there is some misconception here. It is true that the PDF-4+ is a c

Re: atomic position

Try Pearson's Crystal database on CD he also has one published Pearson's handbook of crystallographic data. Regards, Ed On Mon, Jun 13, 2016 at 9:29 PM, Rachid Abkar wrote: > I need please atomic position for both structure Ba2TeO4 space group > pbcn(60) and Ba2TeO5 Space Group: P41212 (92)

Re: atomic position

On 14 June 2016 at 10:16, Matteo Leoni wrote: > However, please update your records. The PDF-4+ is not the PDF-2. The > PDF-4+ ... contains also most of the ICSD coordinates that have been > however thoroughly checked in house, quality marked, cross referenced and > corrected when needed. Thank

Re: atomic position

dear everybody, I think there is some misconception here. It is true that the PDF-4+ is a commercial database: this means that sharing the information taken from the database (as recently done here) is an explicit violation of copyrights of ICDD and the violator might be legally prosecuted. When

RE: atomic position

Try to search here http://www.crystallography.net/cod/search.html Davide From: rietveld_l-requ...@ill.fr [mailto:rietveld_l-requ...@ill.fr] On Behalf Of Rachid Abkar Sent: Tuesday, June 14, 2016 4:29 AM To: Rietveld_l@ill.fr Subject: atomic position I need please atomic position for both

Re: atomic position

> > maybe they are in PDF4. > PDF4 is a commercial database of d-spacings and unit cells derived from them. It does not normally contain atomic positions, and not all structures in PDF4 have been determined. ICSD does contain atomic positions if they have been determined. Both PDF4 and ICSD are c