Rietveld school

k: https://conference.sns.gov/event/414/overview<https://urldefense.com/v3/__https:/conference.sns.gov/event/414/overview__;!!P4SdNyxKAPE!DpWhV5PpugfmsVGvtGje9qzgs8GL2uPDaYtOcI372-gorHQ_NikmX2EH1cee1OyCUPJR89_aRxN0$> Topics to Cover * Rietveld refinement and whole pattern fitting in TOPAS * Neutron po

Re: Rietveld ESD calc fortran code typo?

Thanks a lot for that Jonathon. The code is helping me understand the algorithm, in particular the implementation of the double sum. Currently in the process of reproducing it in python to get around my essentially complete lack of knowledge in fortran so I can properly understand it. On Thu,

Re: Rietveld ESD calc fortran code typo?

Dear Matthew That fortran snippet was corrected in Appendix 1 of Andreev's paper here: https://doi.org/10.1107/S002188989300891X It is a shame that implicit none was not part of fortran 77. The google search resul leading me to that was:

Rietveld ESD calc fortran code typo?

Hi all Just been reading Berar & Lelann (J Appl Cryst 24:1-5). In the paper's appendix, there is some Fortran code implementing their ESD multiplier calculation. This code was added to the end of the CHISQ subroutine in DBW3.2 I'm interested in line 10: COREL = (DEL**2/Y(I)) + CD Should CD

Multicomponent quantitative Rietveld analysis of Mineralogical Samples-Any Expert

Dear Rietveld Community , I am in interested in using rietveld analysis (using TOPAS .INP files) of PXRD data for multicomponent quantitative analysis within the bulk Mineral samples -% phase data Analysis of following samples. 1-Barite 2-Lepidolite: A lithium-rich mica mineral 3-Spodumene

Re: Rietveld condamnation considered as established by some more people

factors. Then comes the Rietveld refinement anyway.envoyé : 18 août 2023 à 17:00de : Alan W Hewat à : Le Bail Armel cc : "rietveld_l@ill.fr" objet : Re: Rietveld condamnation considered as established by some more peopleI have no problem with Rietveld's prize Armel. Crystallographers i

Re: Rietveld condamnation considered as established by some more people

hich makes me think that physicists Loopstra and Van Laar had essential input. Rietveld was a crystallographer. In retrospect the prize might have been awarded to the trio, but in retrospect we also simplify reality. Dr Alan Hewat, NeutronOptics Grenoble, FRANCE (

Re: Rietveld condamnation considered as established by some more people

août 2023 à 11:30de : Alan W Hewat à : Le Bail Armel cc : rietveld_l@ill.frobjet : Re: Rietveld condamnation considered as established by some more peopleBonjour Armel.No, it was van Laar who initiated it. He was annoyed that I had praised Rietveld too much in my own accounts. http://hewat.net/science

Re: Rietveld condamnation considered as established by some more people

'the invention of Rietveld refinement'. Unaware of the history of the development of the method at Petten (NL), Bram and me visited both Hugo Rietveld and Bob van Laar in 2015/2016, with the intention to organize a celebration symposium "Debye & Rietveld: 100&50 years" in Amsterda

Re: Rietveld condamnation considered as established by some more people

Bonjour Armel. No, it was van Laar who initiated it. He was annoyed that I had praised Rietveld too much in my own accounts. http://hewat.net/science/ill-hewat.html* 'History of the ILL from a personal perspective'.* https://journals.iucr.org/j/issues/2016/04/00/es0421/ '*Hugo Rietveld (1932–2016

Re: Rietveld condamnation considered as established by some more people

argumentsinside are from old Rietveld-Schenk interferences, especially the story when Rietveld refused to plaid guilty after being accused by Schenk in a very strange manner.Now, the fact that Schenk was IUCr President may be sufficient for many people tobelieve in his version of the story

Re: Rietveld condamnation considered as established by some more people

and computational efficiency. The reasons why “Rietveld Analysis” is my preferred name for this technique are spelled out in chapter 4.7 of Volume H of the International Tables and I will not repeat them here, but I also like to draw additional attention to his minimally-credited method

RE: Rietveld condamnation considered as established by some more people

My review of Mittemeijer’s book seems to have excited interest in the history of the “Rietveld” method. I, myself, recall using Alan’s modified program (incorporating anisotropic displacement parameters, a welcome addition) in the early days and I saw that many Rietveld programs also

Re: Rietveld condamnation considered as established by some more people

Dear Luca. Since I administer the Rietveld mailing list, I could have changed the name years ago when Van Laar and Schenk published their history, with which I largely sympathise. I didn't, because everyone now calls it "Rietveld Refinement", a name invented by Terry Sabine,

Re: Rietveld condamnation considered as established by some more people

Given the involvement of Alan in the early days I would be confident to trust his view. So why we don't try to fix a bit the mistake. We could: - start renaming this list as Loopstra-Rietveld list ;-) ( I would keep the name Rietveld in hit, first who got the idea, second the programmer

Re: Rietveld condamnation considered as established by some more people

Armel, it's not about you :-) But in your 1988 paper you did not reference Pawley (1980) and even Rietveld only appeared as #14 https://www.researchgate.net/publication/228084768_Ab_Initio_Structure_Determination_of_LiSbWO6_by_X_ray_Powder_Diffraction#fullTextFileContent But let's not change

Re: Rietveld condamnation considered as established by some more people

It's a widespread phenomenon. What about America being named for Vespucii rather than Columbus? On Thu, 17 Aug 2023, 11:49 Le Bail Armel, wrote: > >And there are other examples. See this brief review of "Whole Pattern > Fitting - The Pawley Method" (1980) yet few people now attribute this kind

Re: Rietveld condamnation considered as established by some more people

>And there are other examples. See this brief review of "Whole Pattern Fitting - The Pawley Method" (1980) yet few people now attribute this kind of profile refinement to Pawley. http://pd.chem.ucl.ac.uk/pdnn/solve1/pawley.htmFew people ? At least me

Re: Rietveld condamnation considered as established by some more people

hreef op 2023-08-16 18:45: > > In a book : > How Science Runs – Impressions from a Scientific Career. By Eric J. > Mittemeijer > > > Reviewed by Mike Glazer > > > "In another section, the author has some criticism about the famous > Rietveld method in powde

Re: Rietveld condamnation considered as established by some more people

Le Bail Armel schreef op 2023-08-16 18:45: In a book : HOW SCIENCE RUNS – IMPRESSIONS FROM A SCIENTIFIC CAREER. BY ERIC J. MITTEMEIJER Reviewed by Mike Glazer "In another section, the author has some criticism about the famous Rietveld method in powder diffraction. He point

Re: Rietveld condamnation considered as established by some more people

aar worked at Petten with Rietveld, and Schenk was the IUCr president. This paper is apparently the basis of Mittemeijer's book. His point is that scientific discoveries are often the result of the work of many people, yet we tend to simplify the process and attribute them to individual heros. M

Rietveld condamnation considered as established by some more people

In a book :How Science Runs – Impressions from a Scientific Career. By Eric J. MittemeijerReviewed by Mike Glazer"In another section, the author has some criticism about the famous Rietveld method in powder diffraction. He points out that the original idea for this method was put forward by

Rietveld Analysis Automation Workshop at LANL June 5-9, 2023 - reply by MON April 10

Dear Rietveld method user, Over the past half-decade, our LANL team developed several tools to tackle the challenges posed by modern high-throughput neutron and X-ray scattering instruments, mostly geared towards engineering diffraction such as texture, strain and phase fraction analysis

Rietveld Workshop

Hi dear colleagues, It's a pleasure to announce the 2023, 7th season of The Spring Tunisian Rietveld Workshop It will be held in the capital, Tunis in the prestigious Institute of Technology INSAT between 15 and 18 of march 2023. Pr. Habib Boughzala Institut Préparatoire aux Études

QPA calculation from Rietveld refinements

Hi all Are there any Rietveld programs that use the Bish and Howard approach directly (instead of Hill & Howard) to calculate QPA? ie w_i = s_i * rho_i / Sum(s_j * rho _j) instead of w_i = S_i * Z_i * M_i * V_i / Sum( S_j * Z_j * M_j * V_j) where w_i - weight fraction of phase i s_i -

Spring Tunisian Rietveld Workshop

Dear Rietvelders, The Spring Tunisian Rietveld Workshop will take place from March 23rd to 26rd, 2020 At the IMSAT new school in Hammamet, (Nabeul, Tunisia). For further details, please visit: https://imsatformation.webnode.fr/workshops/ Pr. Habib Boughzala Institut Preparatoire aux Etudes

Powder Diffraction and Rietveld Refinement School 2020

Dear All, The biennial Powder Diffraction & Rietveld Refinement School at Durham University will take place 29th March-2nd April 2020. The information about the School content and format, practical information (deadlines and fees) and the application link are available at: h

Announcement: Rietveld user meeting BGMN/Profex Freiberg September 16-18

*First Circular* *User meeting “Rietveld analysis with BGMN/Profex”* Kindly supported by TU Bergakademie Freiberg, RMS Foundation Bettlach, and the German- Swiss-Austrian Clay Group DTTG  This workshop is addressed at persons using the BGMN Rietveld program in research, education

Re: Literature on Rietveld limitations in nano materials

561d Best regards, Darren -Original Message- From: girgs...@fhi-berlin.mpg.de Sent: Thu, 6 Jun 2019 12:39:29 +0200 To: rietveld_l@ill.fr Subject: Literature on Rietveld limitations in nano materials Dear fellow Rietvelders, Could anyone point me to some nice literature which critically

Re: Literature on Rietveld limitations in nano materials

add a few > thoughts though that may help to explain the issues at hand. > > A Rietveld program calculates the diffraction pattern as a sum of all > Bragg reflections. Initially these Bragg peaks are treated as > infinitesimally sharp points at a fixed 2Theta position. This hold in > par

Re: Literature on Rietveld limitations in nano materials

Hello, I think it would be nice if I could cite some critical discussion, or There are a couple of comments in the current issue of J.Appl.Cryst that might be interesting for you: https://doi.org/10.1107/S1600576719006575 Best, Jon

Re: Literature on Rietveld limitations in nano materials

Dear Mr Girgsdies, Off hand I am not aware of any critical discussion. Let me add a few thoughts though that may help to explain the issues at hand. A Rietveld program calculates the diffraction pattern as a sum of all Bragg reflections. Initially these Bragg peaks are treated

Literature on Rietveld limitations in nano materials

Dear fellow Rietvelders, Could anyone point me to some nice literature which critically discusses the limitations of the Rietveld method when it comes to nano-crystalline materials (specifically in the 1 to 3 nm range)? As far as I'm aware, the core Rietveld literature seems to touch

Spring Tunisian Rietveld Workshop 2019

Dear All, It's a pleasure to announce the opening registration to the Spring Tunisian Rietveld Workshop 2019 on 22-24 march. The fifth session is entitled : Polymorphism in Rietveld approach and useful tools" Further details on: http://www.ipein.rnu.tn/Fr/Fr/workshop_rietveld-2019_1

Rietveld poll provisory result

Hi All >I though this discussion would divide the community but from Armel’s pole (good idea) it hasn’t. Yes Alan (C. not H. ;-), thanks ! Rietveld poll provisory result after 2 weeks : Yet only 54 Rietveld mailing list subscribers feeling concerned by a possible change of the n

Re: Rietveld website cancelled ?

Thanks Armel. Have a look also at the s-triazine paper. 30 years ago Pawley and I were determining structures of materials that are liquid at room temperature. I remember he was worried about liquid HCN on the French train. You might try that :-)

Re: Rietveld website cancelled ?

t software (was a bit more complex). So, this 1985 SDPD paper cannot be considered as a good example for a confirmation of the "structure determined by the Rietveld method" approach. but sure it is a nice structure DETERMINATION from neutron powder data.   Best Armel         > Me

Re: Rietveld website cancelled ?

  The Hugo Rietveld crucifixion is off limits. If it is not here that we can discuss of it, then where ? Contrarily to you I find a good fit with religion. And vL did not use blank shots.   Armel       > Message du 30/08/18 13:48 > De : "Alan Hewat" > A : "rietv

Re: Rietveld website cancelled ?

> You dig ! Please stop digging Armel. Loaded guns, grave digging and religion are off limits. __ * Dr Alan Hewat, NeutronOptics, Grenoble, FRANCE * +33.476.98.41.68 http://www.NeutronOptics.com/hewat

Re: Rietveld website cancelled ?

Hi,   >It all depends on the definition I know since a long time that it is risky to appear discussing on that list containing so many gurus of the Rietveld god (christened in 1978 by Sabine and Young ; almost nobelized in 1995 ; crucified in 2018 by van Laar and Schenk). If god has s

RE: Rietveld website cancelled ?

ze hit in the mid-1980s.  At that time it was recognized the >Rietveld Method was useful only for REFINING structures which were generally >accepted from single crystal x-ray analysis. >The http://www.cristal.org/rietv025/ link says the method "[allows] an >accurate determination of

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/. .."

Re: Rietveld website cancelled ?

believing that the sense of the words "structure determination" and "structure refinement" are the same, and the others. You dig.   Best   Armel         > Message du 29/08/18 18:09 > De : "Larry Finger" > A : "Le Bail Armel" , Ri

Re: Rietveld website cancelled ?

and 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 reconstruction during > dehydration

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)

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 diffractio

Re: Rietveld website cancelled ?

ies that the structure is already determined (not always if you use ICDD), then if you wish, you may refine it by the Rietveld method     > Message du 29/08/18 12:35 > De : "Alan Hewat" > A : "Armel Le Bail" > Copie à : "rietveld_l@ill.fr" > Objet :

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 structure

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 t

RE: Rietveld website cancelled ?

craze hit in the mid-1980s. At that time it was recognized the Rietveld Method was useful only for REFINING structures which were generally accepted from single crystal x-ray analysis. The http://www.cristal.org/rietv025/ link says the method "[allows] an accurate determination of the stru

Re: Rietveld website cancelled ?

Good work Armel. Note that little is lost once it is posted to the WWW, since it is backed up in several places. The "WayBack Machine" is a good way of recovering historic web sites. The WayBack server is a bit slow, since it is supported only by donations and is probably in heavy demand - see:

Re: Rietveld

*> Argh ! Shame on us three ! * Yes, we went too far. Sorry Armel. But Robert only has to read the footer at the bottom of every post to find how to remove himself. __ * Dr Alan Hewat, NeutronOptics, Grenoble, FRANCE * +33.476.98.41.68

Re: Rietveld

Argh ! Shame on us three !   But be careful to not confuse an example with a counter-example ;-)   In 1986 had already started the times where Rietveld was so famous that giving his name in the paper was sufficient. You can probably find >20.000 such papers citing the Rietveld met

Re: Rietveld

*> Another example.. Loopstra, van Laar and Breed Physics Letters 26A(11) 1968, 526* (AleB) Examples are easy. In Gibaud, Le Bail and Bulou <http://iopscience.iop.org/article/10.1088/0022-3719/19/24/007/meta> J. Phys. C: Solid State Phys. 19 (1986) 4623 "*...the Rietveld program

[SUSPECTED SPAM] Re: Rietveld

>That is why I prefer to use Rietveld's original term "profile refinement" for >all kinds of powder pattern refinement, and reference Loopstra and Rietveld >(1969) instead of >just Rietveld (1969) In the Introduction of Loopstra and Rietveld (1969) they referred to the ap

Re: Rietveld

were used at Argonne to fit multiple peaks to profile intensities, and later at Petten. All references are given in vL <http://journals.iucr.org/a/issues/2018/02/00/ib5058/>. Unfortunately, the term "Rietveld method" has been applied to types of profile refinement that are closer to

Re: Rietveld

>Gauss and Legendre's work shows that science is not performed by individuals >in a vacuum. >Now we call it "Least Squares Refinement" and not "Gauss >Refinement". It seems that the basic collision is in the absence of strict and commonly accepted definition of

Re: Rietveld

*> credit should be given to Rietveld for developing and distributing his software * No-one is disputing that, even if Rietveld himself never gave credit to anyone else. In Rietveld (1969) he merely `*thanks Drs B. O. Loopstra and B. van Laar for their suggestions and helpful criticism*'.

RE: Rietveld

rsion of the method in 1805" I though this discussion would divide the community but from Armel’s pole (good idea) it hasn’t. The Rietveld method is an implementation of the method of least squares with the function being minimized changed to suite powder diffraction. Looking at

Re: Rietveld

Scott. If for commercial reasons you don't wish to disclose the details of Panalytical's code, I suggest you reference "code based on the Rietveld code - Rietveld (1969) Reactor Centrum Nederland Report RCN-104 (which contains the original code). My version is on: http://www.ccp14.ac.uk/cc

Re: Rietveld

Scott. If you use the code distributed by Rietveld, you should certainly acknowledge it as "the Rietveld program/code" as I did in my Harwell report 1973_The_Rietveld_Program_for_the_Profile_Refinement_of_ Neutron_Diffraction_Powder_Patterns_AERE_R7350-von_Dreele_annotations.pdf <htt

RE: Rietveld

It is interesting to read this conversation and to hear the various points of view. I have one point for consideration to add, and would love to hear the opinion of those who were more closely involved in those early days: I was always under the impression that the nomenclature "Rie

Re: Rietveld

The >1500 subscribers can vote... :   https://doodle.com/poll/gh3v3nfhue599w23   Best,   Armel       > Message du 21/08/18 19:10 > De : "Alan Hewat" > A : "rietveld_l@ill.fr" > Copie à : > Objet : Re: Rietveld > > > As a matter

Re: Rietveld

ruth, and even Armel cannot ask for that. On Tue, 21 Aug 2018 at 17:44, Le Bail Armel wrote: > Dear Rietvelders, > > > > The last sentence of the van Laar & Schenk paper is : > > "It seems to us justified to replace the name ‘Rietveld method’ > in the future b

Re: Rietveld

Dear Rietvelders,   The last sentence of the van Laar & Schenk paper is  : "It seems to us justified to replace the name ‘Rietveld method’ in the future by the working title of the past: ‘profile method,’ or to honour the inventor by using ‘Loopstra method’." So, shame on Rietv

[SUSPECTED SPAM] Rietveld

We were worried that our article was not reaching the powder crystallographers as it was published, although Open Access, in Acta Cryst A. Jim Kaduk advised me to use this excellent list-server, so I became member and posted our message. Now I'm happy to mention that since that day Acta A

Re: Rietveld

ell-based scientific -human- statement) >*/If you want the opinion of the actual people involved, you now have van Laar's account and you have Rietveld's account/*. Again, too bad that Dr. Rietveld is not alive. In my humble opinion, for the sake of the proper scientific exchange of ide

Re: Rietveld

*> For the sake of the scientific exchange of ideas and facts, too bad that Dr. Rietveld is not alive.* Loopstra is not alive either. Scientists cannot ask anyone for the absolute truth. We have to look at the available evidence, and different people may reach different conclusions. If you w

RE: Rietveld

Hi, I am too young and out of the mainstream of powder diffraction to know all the stories about the born of the Rietveld Method. My question is: the article of Rietveld is published in 1969 and the article about the born of this method come out after that Hugo Rietveld pass away, why did

Re: Rietveld

Seems that Rietveld had not the same opinion and claimed for ideas too and possibly for mathematics as well. Best, Armel Armel, For the sake of the scientific exchange of ideas and facts, too bad that Dr. Rietveld is not alive. Regards, Miguel Delgado On 8/19/2018 6:21 PM, Le Bail

Re: Rietveld

  >"...the method did not suddenly appear in a flash of inspiration of a single >person, but was the result of the work of three individuals... Loopstra, van >Laar and Rietveld.".   And more precisely :   " HS wrote in Dutch: ‘Loopstra had the idea that it should be

Re: Rietveld

> Seriously, HS really think that Hugo Rietveld had absolutely no idea, and then worked out mathematically nothing ? Armel, the vL paper <http://journals.iucr.org/a/issues/2018/02/00/ib5058/> doesn't say that Rietveld had no idea and contributed nothing. Please read the first line of

Re: Rietveld

Hi,   Reading again the Acta Cryst. (2018). A74, 88–92 paper :   "So, summarized here, HS wrote in Dutch: ‘Loopstra had the idea that it should be better to use the whole powder profile rather than estimated intensities to solve structures, van Laar worked it out mathematically and Rie

R: Rietveld

to the conversation for sharing their stories, viewpoints and experiences. Best, Marco Da: rietveld_l-requ...@ill.fr per conto di Alan Hewat Inviato: sabato 18 agosto 2018 12:22 A: le-bail.ar...@orange.fr Cc: rietveld_l@ill.fr Oggetto: Re: Rietveld > As I

Re: Rietveld

of simply refining the structure to fit the observed profile ? None of the professional crystallographers I knew accepted that idea - only physicists and chemists who used crystallography as a tool. It was a naive physicist's approach. 2) How could Rietveld (1967) in his first paper not emphasise

Re: Rietveld

Hi,   >As I get older, I believe less and less in legends. In the IUCr 1999 issue >that I cited, I should have also mentioned that there is an interesting >article on p.4 called "The Powder Diffraction Handicap" by Armel le Bail :-)   Indeed, "never say never" is verified again. The powder

Re: Rietveld

7 Aug 2018 at 10:31, Le Bail Armel <mailto:le-bail.ar...@orange.fr>> wrote: > > >Probably, that's how legends begin. > > > Your presence on so many pictures together with Hugo Rietveld, suggests that > your responsibility in establishing and approving the leg

RE: Rietveld

« Profile refinement » is misleading as with Rietveld method we are refining also the crystal structure … I think that it is too late to change the terminology in the text books. The history of science is full of wrong legends. One point of view of the people involved in the story is now

Rietveld

(or something like that: my memory may not be precise). Alan at that time was working in Harwell and he applied for the job. I asked him to come and see me to discuss this and this was when I learnt about Rietveld. One should remember that prior to Rietveld (and Pawley) powder diffraction

Re: Rietveld

gt; On Fri, 17 Aug 2018 at 10:31, Le Bail Armel wrote: > > > >Probably, that's how legends begin. > > > > Your presence on so many pictures together with Hugo Rietveld, suggests > that your responsibility in establishing and approving the legend is quite > high, betwe

Re: Rietveld

  >Probably, that's how legends begin.   Your presence on so many pictures together with Hugo Rietveld, suggests that your responsibility in establishing and approving the legend is quite high, between 30 and 60% maybe, but I recognize that Rwp is poorly satisfying for this fit. h

Re: Rietveld

Armel's supervisor, Daniel Louer, made important contributions to the description of the line shape for profile refinement with x-rays, but that was 10 years later. His 1986 paper <https://doi.org/10.1017/S0885715600011738> references Rietveld (1969) but uses a different type of profile refi

Re: Rietveld

> * I remember that a Fortran version was in tests there (in Rennes in 1975-76), probably one of these 27 copies distributed by Hugo Rietveld himself to institutes all over the world.* Rietveld worked with neutron powder diffraction on magnetic and heavy metal oxides. An x-ray lab. in Ren

Tunisian Spring Rietveld Workshop

Dear All, It's a pleasure to announce the 4th Tunisian Spring Rietveld Workshop. With the agreement of the IUCr, the 2018 session is entitled "Crystallography Rietveld & Databases". It will be held on March 22-23 & 24 in the engineering school of Nabeul (70km from Tunis)

2018 Powder Diffraction & Rietveld Refinement School, Durham

Dear All, The biennial Powder Diffraction & Rietveld Refinement School at Durham University will take place 8-12th April 2018. The applications deadline is approaching - online applications can be submitted until the end of next week, 19 January 2018, at the School web

Re: An additional criterion for the Rietveld method

stion is how accurate we can model/calculate/correct all these effects in our Rietveld refinement procedure. For the "peak-shift": As described in the Abstract section, the peak-shift is the deviation in diffraction angle from the theoretical Bragg position. And we assumed the geomtrical

Re: An additional criterion for the Rietveld method

g 1 and 3 look like. Of course, if not taken into account correctly, these effects will bias the lattice parameters systematically. Basically, the primary question is how accurate we can model/calculate/correct all these effects in our Rietveld refinement procedure. Let us assume that our peak sh

Re: An additional criterion for the Rietveld method

Dear Johannnes, Thank you, too. Am I right that your new criterion (Σ|Δ2θR|(sum or all) = Min) relies on the previous knowledge of the true, correct lattice parameter (which was certified for LaB6 in case of the NIST material SRM 660a treated in the article)? No. The criteria do not rely on

Re: An additional criterion for the Rietveld method

Dear Masami Tsubota, thanks for directing us to your interesting, free access article. However, it is not stated in the article whether and how the new criterion could be applied in usual Rietveld refinements of non-certified samples. Am I right that your new criterion (Σ|Δ2θR|(sum or all

Re: An additional criterion for the Rietveld method

in the Rietveld method is not so good. We have carefully investigated the reason, focusing on the peak-shift. Our results show that a proportional unit-cell compared to the true one is obtained in the conventional Rietveld method. We propose an additional criterion to obtain the true lattice parameters

An additional criterion for the Rietveld method

Dear Rietvelters, I'd like to introduce our following article. https://www.nature.com/articles/s41598-017-15766-y Accuracy of refinement parameters in the Rietveld method is not so good. We have carefully investigated the reason, focusing on the peak-shift. Our results show that a proportional

2018 Powder Diffraction & Rietveld Refinement School, Durham

Dear All, The biennial Powder Diffraction & Rietveld Refinement School at Durham University will take place 8-12th April 2018. As in previous years, we will offer a combination of lectures covering the theoretical aspects of powder diffraction and Rietveld refinement, classroom-based &quo

AW: Commercial announcements on the Rietveld list

time that we want to have samples with reliable information on the main element chemistry, trace elements and mineralogical composition (XRD/Rietveld) as well. So we have organized a Round Robin test with up to 20 experienced laboratories and produce a set of three reference cements (CEM I; CEM II

Commercial announcements on the Rietveld list

People ask if commercial products can be promoted on the Rietveld list. There are no written rules, and no vetting of posts. (Members simply risk being suspended if they break the unwritten rules :-) Generally, a short announcement of the availability of a commercial product or offer

Re: Rietveld list subscription

> > That means after identifying impurity phases, we should keep cell > parameters and and all shape parameters fixed for impurity phases in > Rietveld refinement and refine only scale factor of these phases along with > main phase and then refine all cell parameters and and all s

Announcement of 2017 school "Modern Methods in Rietveld Refinement and Structural Analysis"

We are pleased to announce that the third annual "Modern Methods in Rietveld Refinement for Structural Analysis" school will be held from June 18-23, 2017, at Oak Ridge National Laboratory in close partnership with the Shull-Wollan Center Joint Institute for Neutron Sciences (

Rietveld Workshop

v\:* {behavior:url (#default#vml);} Dear Colleagues, It's a great pleasure to announce the second Tunisian powder diffraction workshop entitled : " Advanced Methods in Rietveld Refinement " It will be held in the Engineering School of Nabeul (Tunisia) 27-28-29 m

Rietveld course at Stuttgart

The next DMG/DGK student course "Basics and applications of the Rietveld method" will take place March 6 – 9, 2017 at the Max Planck Institute for Solid State Research, Heisenbergstrasse 1, D-70569 Stuttgart, Germany in cooperation with the universities of Tübingen and Stuttga

Registration deadline extended for Symposium Debye & Rietveld: A celebration, Amsterdam 22nd September

Dear All, The deadline for the registration for the Debye-Rietveld meeting has been extended to September 7th! This year it is 100 years ago that Peter Debye introduced powder diffraction and it is also 50 years ago that Hugo Rietveld introduced the profile method to refine crystal structures

  1   2   3   4   >