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Dear Maxim, I have a large number of structures refined with single crystal data collected at 100 K with Ueq parameters very close or even larger than those of your structure (considering Biso=Ueq/(8pi**2). I had never heard of the mentioned hard limits for acceptable thermal parameters in a struct

Re: Rietveld website cancelled ?

Was that Clint Eastwood? - Kurt From: rietveld_l-requ...@ill.fr on behalf of Le Bail Armel Sent: Wednesday, August 29, 2018 12:01:25 PM To: Rietveld_L@ill.fr Subject: Re: Rietveld website cancelled ? OK, seems that the SDPD book preface looks unclear to some.

Re: Rietveld website cancelled ?

On 08/29/2018 02:01 PM, Le Bail Armel wrote: OK, seems that the SDPD book preface looks unclear to some. Western movies adepts well know that sentence : "You see, in this world there's /two kinds/ of /people/, my friend: /those/ with loaded /guns/, and /those/ who /dig/. /You dig/. .." Simil

Re: Rietveld website cancelled ?

OK, seems that the SDPD book preface looks unclear to some.   Western movies adepts well know that sentence : "You see, in this world there's two kinds of people, my friend: those with loaded guns, and those who dig. You dig. .."   Similarly, there are two kinds of people, those believing tha

Re: Rietveld website cancelled ?

It all depends on the definition. If/when we agree on the definition, there is usually no points for further arguing. Anyway we could call Relieved method a structure determination from powder data as long as it does not included solving structure (or as David elegantly put - true structural soluti

Re: Rietveld website cancelled ?

Absolutely important that people understand that the Rietveld method is structure refinement and not solution, but as Larry points out sometimes you can get a more out of it if you’re clever… and have no other choice! Here’s a second example: Stubbs et al., 2010, Uranyl phosphate sheet reco

RE: Rietveld website cancelled ?

Hi Armel, A more extreme example was in Acta D56, 1549-1533 (2000) where a protein structure (a new insulin phase) was solved by rigid body Rietveld refinement from a synchrotron powder data set & subsequently confirmed by a single crystal analysis (see Acta Cryst. (2001). D57, 1091-1100). NB: t

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Dear Colleagues, I need your expert point of view on the complex problem associated with the thermal parameters. Description: New crystal structure contained Ba, Ca, K, P,O elements (with some Mn,Eu dopants) was solved and refined using Topas 4.2. The Checkcif tool found only a few Alert C, na

Re: Rietveld website cancelled ?

On 08/29/2018 04:15 AM, Le Bail Armel wrote: Hi, After the IUCr Monograph on Crystallography 13 (2002) entitled "Stucture Determination from Powder Diffraction Data" you may find in the preface : "Although the Rietveld method of structure refinement from powder diffraction data is often loos

Re: Rietveld website cancelled ?

  >Very few citations though;   The fact is that you don't cite this couple of examples in your own list of selected publications : http://hewat.net/science/ If you find them of poor interest, the World follows you.   Armel   PS - A positive search-match (using the COD) signifies that the

Re: Rietveld website cancelled ?

> A clear distinction having my complete agreement. (Armel) Ouf. Nous sommes d'accord enfin :-) For Armel, here are a couple of examples of automatic indexing, search-match and structur

RE: Rietveld website cancelled ?

Hi,   After the IUCr Monograph on Crystallography 13 (2002) entitled "Stucture Determination from Powder Diffraction Data" you may find in the preface : "Although the Rietveld method of structure refinement from powder diffraction data is often loosely considered to be synonymous with structu

RE: Rietveld website cancelled ?

To all: Initially I sent this to Alan who suggested I open discussion to the entire community. I've posted similar in past years and have been FLAMED. Please keep it civil. ;-) = As a long time practitioner of powder XRD (since 1972) I was there when the superconductor cr

Re: Rietveld website cancelled ?

> when the superconductor craze hit in the mid-1980s... it was recognized the Rietveld Method was useful only for REFINING structures which were generally accepted from single crystal x-ray analysis. That is an interesting observation, and it's a pity you didn't send it to the whole list because p