>Experimental RIRs are trash? theoretical RIRs do not represent at all any >reasonable experimental >system? there is not error bar in RIR? Let us do >Rietveld and be very careful to properly account for >microabsorption...
Good questions and suggestion… For those who are interested, I have an XRD pattern (Co radiation) of an artificial mixture of Cu and Zn powders: https://sites.google.com/site/ddmsuite/home/CuZn_powder.xy The microabsorption can be neglected for this mixture, but the questions: “Experimental RIRs are trash? theoretical RIRs do not represent at all any reasonable experimental system?” are highly actual. >From Rietveld I was unable to reproduce correct weight-fractions within >reasonable limits. If somebody can, I would highly appreciate. ******************************************************* Leonid A. Solovyov Institute of Chemistry and Chemical Technology 660036, Akademgorodok 50/24, Krasnoyarsk, Russia http://sites.google.com/site/solovyovleonid ******************************************************* ________________________________ From: Leopoldo Suescun <[email protected]> To: "[email protected]" <[email protected]> Sent: Thursday, June 11, 2015 3:37 PM Subject: Re: Experimental and calculated RIRs of metals from ICDD Experimental RIRs are trash? theoretical RIRs do not represent at all any reasonable experimental system? there is not error bar in RIR? Let us do Rietveld and be very careful to properly account for microabsorption... 2015-06-11 4:18 GMT-03:00 Alan Hewat <[email protected]>: Hi Leonid. > > >I can't answer your question, but want to warn you that Gmail put your email >into my spam folder with the following explanation: "Why is this message in >Spam? It has a from address in yahoo.com but has failed yahoo.com's required >tests for authentication". > > >I don't understand Gmail's tests, and this problem is not due to the Rietveld >server. Your message was distributed and is already in the archive >http://www.mail-archive.com/[email protected]/ but Gmail users (there are a >lot) may miss your message unless they manually check their spam folder. > > >For all Rietveld list members - if your message to the list is rejected, it >will be because the email address you are using is not identical to that with >which you subscribed. If your address changes, you must subscribe again to be >able to post, even though you may still RECEIVE messages via forwarding. This >list is not moderated. Whether your message is posted or not is entirely >decided by the SYMPA server software. > > >Alan. > > >On 11 June 2015 at 08:07, Leonid Solovyov <[email protected]> wrote: > >Dear Rietveldians, >> >>Can anybody give an explanation of a severe discrepancy in the experimentally >>measured Reference Intensity Ratios (RIR) and those calculated from structure >>for some metals, such as Zn, Ti, Cd etc. in the ICDD PDF? >>In particular for Zn, the experimental RIR from ICDD PDF 00-004-0831 is 3.8, >>while the calculated RIR from PDF 01-078-9363 is 8.39. For Cd the difference >>is more impressive: RIR=2 in PDF 00-005-0674 and 15 in PDF 01-071-3769. >>For the experimental RIRs a reference is given: Swanson, Tatge., Natl. Bur. >>Stand. (U. S.), Circ. 539, I, 16, (1953), which is inaccessible for me, >>unfortunately. >> >>Any hypothesis? >>Leonid >> >> ******************************************************* >>Leonid A. Solovyov >>Institute of Chemistry and Chemical Technology >>660036, Akademgorodok 50/24, Krasnoyarsk, Russia >>http://sites.google.com/site/solovyovleonid >>*******************************************************
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