Re: "2d materials don't exist" editorial??

of the peaks can be described with integer coefficient hi. Note that n<3 is not accepted. (https://dictionary.iucr.org/Crystal) Leopoldo -- #CONCIENCIA6+1 Prof. Agr. Dr. Leopoldo Suescun Cryssmat-Lab/DETEMA, Facultad de Química, Universidad de la República. URL: http://cryssmat.fq.edu.uy/

Re: "2d materials don't exist" editorial??

Hi all, Thank you Matt for bringing up this issue. Massimo Nespolo has been fighting for the correct description of structures, specially focusing on symmetry and proper terminology, for years (see his many articles on the misuse of lattice, sublattice, superlattice, etc). He has, as well, been

Re:

ease do NOT attach files to the whole list > > Send commands to eg: HELP as the subject with no body > text > The Rietveld_L list archive is on > http://www.mail-archive.com/rietveld_l@ill.fr/ > ++ > > -- Dr. Leop

Re: using Zero

error. > > Make sure you then use that refined zero error in subsequent refinements, > until you realign your instrument. The zero error should not be a function > of your sample. Specimen displacement is a function of each sample (mount) > and should always be refined to obtain more

Re: using Zero

> Institute of Geological Sciences > Twarda 51/55 str. > 00-818 Warsaw > Poland > > ++ > Please do NOT attach files to the whole list > > Send commands to eg: HELP as the subject with no body > text > The Riet

Re: Stoichiometry and occupancy fractions of solid solutions

+++ > Please do NOT attach files to the whole list > > Send commands to eg: HELP as the subject with no body > text > The Rietveld_L list archive is on http://www.mail-archive.com/ > rietveld_l@ill.fr/ >

Re: Help for analysis strain using GSAS？

ld_L list archive is on http://www.mail-archive.com/ > rietveld_l@ill.fr/ > ++++++ > > > -- Dr. Leopoldo Suescun Prof. Agr (Assoc. Prof.) de Física Tel: (+598) 29290705/29249859 Cryssmat-Lab./Cátedra de Fisica/DETEMA Fax: (+598) 29241906* Facultad de Quimica, Universidad

HELP to find a replacement part for an old Philips Open Eulerian Cradle

siguiente: > 16-BIT CPU2-CARD > 4022 332 8639[1] > a (b) c d e f . . . > > Gracias de antemano. > Un abrazo, > Daniel > > Dr. Daniel Ariosa > Director del Instituto de Física, > Facultad de Ingeniería > Universidad de la República > Montevideo, Uruguay > T

Re: Making an unit cell with all sites occupied by multiple atoms in FullProf

0801, Japan > ////// > > > ++ > Please do NOT attach files to the whole list > > Send commands to eg: HELP as the subject with no body > text > The Rietveld_L list archive is on

software to generate jpg or tiff plots of multiple patterns from in-situ measurement

-- Dr. Leopoldo Suescun Prof. Agr (Assoc. Prof.) de Física Tel: (+598) 29290705/29249859 Cryssmat-Lab./Cátedra de Fisica/DETEMA Fax: (+598) 29241906* Facultad de Quimica, Universidad de la Republica. Montevideo, Uruguay Ahora la cristalografía importa más (www.iucr.org

Re: Powder Diffraction Discussion Group on Facebook

blem with social media is that for those who are at >> work >> or school, being seen on facebook or other social media may be forbidden >> if >> not frowned upon, even if they were being honestly productive. >> >> >> I agree that fewer streams of consciousness are

Re: Experimental and calculated RIRs of metals from ICDD

t; > -- > __ > * Dr Alan Hewat, NeutronOptics, Grenoble, FRANCE * > +33.476.98.41.68 > http://www.NeutronOptics.com/hewat > __ > > ++++

Re: Powder Diffraction Discussion Group on Facebook

=ts > > https://www.facebook.com/pages/DESY/103119693061304?fref=ts > > https://www.facebook.com/MITnews?fref=ts > > https://www.facebook.com/imperialcollegelondon?fref=ts > > need more? > > -- > > Enviado desde mi móvil. > Prof. Dr. Leopoldo Suescun > C

Re: polarization

Björn Matthey > > Keramografie, Phasenanalyse / Ceramography, Phase Analysis > > Winterbergstraße 28, 01277 Dresden, Germany > > Telefon +49 351 2553-7973 > > Fax +49 351 2554-280 > > mailto: bjoern.matt...@ikts.fraunhofer.de > > http://www.ikts.fraunhofer.d

Re: polarization

ase do NOT attach files to the whole list > > Send commands to eg: HELP as the subject with no body > text > The Rietveld_L list archive is on > http://www.mail-archive.com/rietveld_l@ill.fr/ > ++++++++++ > > > --

have you seen this kind of problem with a NaI detector?

in advance for your help, Leo -- Dr. Leopoldo Suescun Prof. Agr (Assoc. Prof.) de Física Tel: (+598) 29290705/29249859 Cryssmat-Lab./DETEMA Fax: (+598) 29241906* Facultad de Quimica, Universidad de la Republica ,_. | \ | v- ,' \ | ( \__Mont

regress in crystallographic good practices and knowledge

the first time I face this kind of powder patterns in the published literature, that´s why I worry more and more every day. With best regards, Leo -- Dr. Leopoldo Suescun Prof. Agr (Assoc. Prof.) de Física Tel: (+598) 29290705/29249859 Cryssmat-Lab./DETEMA Fax: (+

Re: b-NbPO5 atomic positions

ve is on > http://www.mail-archive.com/rietveld_l@ill.fr/ > ++++++ > > > -- Dr. Leopoldo Suescun Prof. Agr (Assoc. Prof.) de Física Tel: (+598) 29290705/29249859 Cryssmat-Lab./DETEMA Fax: (+598) 29241906

Re: Quantification and rietveld refinement

+++ > Please do NOT attach files to the whole list > > Send commands to eg: HELP as the subject with no body > text > The Rietveld_L list archive is on > http://www.mail-archive.com/rietveld_l@ill.fr/ >

Re: Regarding Oxygen occupancy

> The Rietveld_L list archive is on > http://www.mail-archive.com/rietveld_l@ill.fr/ > ++++++ > > > -- Dr. Leopoldo Suescun Prof. Agr (Assoc. Prof.) de Física Tel: (+598) 29290705/29249859 Cryssmat-Lab./DETEMA

Re: Instrumental resolution function

illustration of my > doubts. > > Thanks in advance for your help. > Best Regards, > > Mario A. Macías > Universidad Industrial de Santander > Bucaramanga-Colombia. > > > > ++ > Please do NOT attach files to the

Re: Deviations and internal standard

cerned that > any reviewer would give me a hard time if I simply ignored it in the > statistical analysis. > > Best regards, > Arto > > > On 2013-09-13 17:18, Leopoldo Suescun wrote: > > Dear Arto and rietvelders, > This probably should not taken as a definitive an

Re: Deviations and internal standard

ody > text > The Rietveld_L list archive is on > http://www.mail-archive.com/rietveld_l@ill.fr/ > ++ > > > -- Dr. Leopoldo Suescun Prof. Agr (Assoc. Prof.) de Física Tel: (+598) 29290648/29249859 Cry

Re: conversion

Dear Peter, Some years ago I used CMPR by Brian Toby. The program has been updated several times since then but still seems to maintain the ability to read .bt1 files. I hope this helps. Leo On Thu, January 28, 2010 5:02 pm, Peter Y. Zavalij wrote: > What software is used to convert neutron data i

RE: site occupancy

amounts of dopant. Frequently small amounts of secondary phases or reduced crystallinity are indications of the dopant not going where expected... Hope this helps Leo Dr. Leopoldo Suescun Prof. Agr (Assoc. Prof.) de Física Tel: (+598 2) 9290648/9249859

Re: .cif file for SnO

Dear Nrutya Gopy, If you search the Crystallography Open Database (COD) at http://www.crystallography.net you will be able to find the two different crystalline forms of SnO plus ~8 more cif files, all for free with a convenient search engine. Just this time the two cifs follow. Best regards,

RE: Source and comparison of X-ray scintillator screens

and other suggestions may work most of the time but you may just have the exceptional structure in your hands, so keep your mind open. Hope this helps too! Leo Dr. Leopoldo Suescun Prof. Agr (Assoc. Prof.) de Física Tel: (+598 2) 9290648/9249859 Cryssmat

RE: Introduction and Unit cell parameter determination

Dr. Leopoldo Suescun Prof. Agr (Assoc. Prof.) de Física Tel: (+598 2) 9290648/9249859 Cryssmat-Lab./DETEMA Fax: (+598 2) 9241906 Facultad de Quimica, Universidad de la Republica ,_. | \ | v

Thanks for your kind replies RE: powder diffractometers with high temperature attachment

which one is better, if there is one :-). Best regards, Leopoldo Dr. Leopoldo Suescun Prof. Agr (Assoc. Prof.) de Física Tel: (+598 2) 9290648/9249859 Cryssmat-Lab./DETEMA Fax: (+598 2) 9241906 Facultad de Quimica, Universidad

powder diffractometers with high temperature attachment

Hi, May I ask your help with this not specifically Rietveld-related question? I'm helping a colleague buy a new powder diffractometer with high temperature attachment but I myself have little experience with this particular attachment. I'd appreciate if anyone could comment on the three most popu

Re: Crysfire

Hi Rhine, Crysfire requires your peak positions to be ordered from lower to higher Q or 2theta (being Q=1/(d^2) in crysfire, instead of q=4*pi*sin(theta)/lambda) but they both grow in the same direction), which means higher to lower d-spacing. I don't think there is a command to order your peak pos

GSAS/EXPGUI

use of Brian Toby’s EXPGUI (available in multiple platforms). I hope this helps. Best regards, Leo Dr. Leopoldo Suescun Prof. Adj. de Física Tel: (+598 2) 9290648/9249859 Cryssmat-Lab./DETEMA Fax

RE: f' and f''

can obtain from ccp14. Hope this helps Leo Dr. Leopoldo Suescun Prof. Adj. de Física Tel: (+598 2) 9290648/9249859 Cryssmat-Lab./DETEMA Fax: (+598 2) 9241906 Facultad de Quimica, Universidad

RE: gsas2cif problem

refinement, and the histograms, etc. again. That has allowed gsas2cif to work properly even in cases where multiple datasets and multiple phases were used. Hope this helps. Leo Dr. Leopoldo Suescun Prof. Adj. de Física Tel

RE: anomalous scattering factors

use an already know atom and change scattering factor parameters to make it equal to the real atom (you can do it directly in the .exp file with cut/paste in a text editor) and then refine f’ and f’’ for both different atoms/sites. I hope this helps. Leo Dr. Leopoldo Suescun

Re: Different atomic coordinates

are given in the International Tables with alternative choices) I hope this helps, Good luck Leo Prof. Dr. Leopoldo Suescun Cryssmat-Lab/DETEMA/Facultad de Quimica Universidad de la Republica Montevideo, Uruguay

Re: correlation matrix interpretation

e value of correlation between 0.0 and 0.025, 2nd value means 127 parameters show absolute value of correlation between 0.025 and 0.075 and so forth. The top list only gives those higher than 0.5 in absolute value so you expect 10 counting the last 10 entries in the bottom line, as shown. Hope th

RE: GSAS-ccp14-seqGSAS

for a file name where all the parameters will be given in columns. Lets hope that someone close enough to CCP14 server administrator is a member of this list so the administrator gets an alert phone call about this problem and fixes it ASAP :-). Best regards Leo Dr. Leopoldo Suescun

Re: X-ray scattering contrast Fe/Cu

7; and f'' correction values. Hope this helps. Leo Dr. Leopoldo Suescun Argonne National Laboratory Materials Science Division Bldg 223 9700 S. Cass Ave. Argonne IL 60439 Phone: 1 (630) 252-9760 Fax: 1 (630) 252- - Original Message - From: Franz Werner <[EMAIL PROTECTED]&g

RE: High temperature PXRD fitting in TOPAS

Dear shishir, You probably would like to take a look a the following (open access) paper published last February in Journal of Applied Crystallography: http://journals.iucr.org/j/issues/2007/01/00/issconts.html Hope this helps. Leo Dr. Leopoldo Suescun Postodoctoral Appointee Materials

RE: Cif data

And make the request to a friend or the list only after exhausting the free resources. Best wishes, Leo Dr. Leopoldo Suescun Postodoctoral Appointee Materials Science Division - Bldg 223 - Rm D217 Argonne National Laboratory 9700 S. Cass Ave., Argonne, IL 60439 Phone: 1 (630) 252 9760 Fax: 1

Re: Cif data

elements 3 and you'll get 2 entries for each Bi Fe O and Bi Mn O, where the phases you are looking at are found. Best luck Leo Dr. Leopoldo Suescun Argonne National Laboratory Materials Science Division Bldg 223 9700 S. Cass Ave. Argonne IL 60439 Phone: 1 (630) 252-9760 Fax: 1 (630) 252

RE: crystal structures needed

precisely phosphates :-)) are your compounds. You can download the CIF for free. Hope this helps. Leo Dr. Leopoldo Suescun Postodoctoral Appointee Materials Science Division - Bldg 223 - Rm D217 Argonne National Laboratory 9700 S. Cass Ave., Argonne, IL 60439 Phone: 1 (630) 252 9760 Fax: 1 (630) 25

RE: Absorption in expgui

. HTH. Leo Dr. Leopoldo Suescun Postodoctoral Appointee Materials Science Division - Bldg 223 - Rm D217 Argonne National Laboratory 9700 S. Cass Ave., Argonne, IL 60439 Phone: 1 (630) 252 9760 Fax: 1 (630) 252 URL: http://www.msd.anl.gov/groups/nxrs/personnel/suescun/index.html

RE: Exporting GSAS powplot data

than one phase with significant peak overlap. Hope this helps. Leo Dr. Leopoldo Suescun Postodoctoral Appointee Materials Science Division - Bldg 223 - Rm D217 Argonne National Laboratory 9700 S. Cass Ave., Argonne, IL 60439 Phone: 1 (630) 252 9760 Fax: 1 (630) 252 URL: http://www.msd.anl.gov/groups/nx

Re: Occupancy Constraint...

Dr. Leopoldo Suescun Argonne National Laboratory Materials Science Division Bldg 223 9700 S. Cass Ave. Argonne IL 60439 Phone: 1 (630) 252-9760 Fax: 1 (630) 252- - Original Message - From: [EMAIL PROTECTED] Date: Saturday, February 24, 2007 1:20 am Subject: Occupancy Constraint... &

RE: Powder Diffraction In Q-Space

should be brougth up again. To me this specifical issue of representing the diffraction patterns is just like calling the monoclinic angle beta or gamma, there are other issues like the one Bob brought up, that are not just the way programmers wrote the programs. Best regards. Leo Dr.

RE: lattice constrain by GSAS

ight shift of b-axis in the opposite one giving a model that always resembles tetragonal symmetry. In my experience even in highly pseudo-symmetric cases the cell parameters finally converge to slightly different but stable values, which is hard to achieve in the case of using the wrong symmetry.

RE: Question about GSAS

at is a way to find if there is an error (the chance that they are all wrong is smaller). I will be happy to check the input structure for you if you send the cif or exp file (no need to do it to the list, just reply to my personal e-mail). Hope this helps Best wishes. Leo Dr. Leopoldo Su

Re: RE: Re: Cell parameter constrain

I've usually found there is a difference in the 5th or 6th digit of the cell parameters that I attribute to rounding errors, but this should not make a difference. Hope this also helps. Leo Dr. Leopoldo Suescun Argonne National Laboratory Materials Science Division Bldg 223 9700 S. Cass Av

RE: request

requests are there, and you can dowload directly a CIF that will make de data easy to use in most plotting or refinement programs (no typing needed). Good luck Leo Dr. Leopoldo Suescun Postodoctoral Appointee Materials Science Division - Bldg 223 - Rm D217 Argonne National Laboratory 9700 S. Cass Ave

Jim Jorgensen

On Behalf of Ray Osborn - Dear colleagues, It is with great sadness that we report that Jim Jorgensen passed away yesterday, Thursday, September 7, after a long battle with cancer. He died peacefully at home in his sleep. He was a much loved and respected colleagu

GSAS ESD/STD conversion

your intensities you can, in that way at least the R factors will not be completely meaningles. Usualy if you rescale your data by X you can easily get X from esd^2/I. Good luck. Leo Dr. Leopoldo Suescun Postodoctoral Appointee Materials Science Division - Bldg 223 - Rm D217 Argonne National Labor

GSAS Constraints

Hope this helps. Leo Dr. Leopoldo Suescun Postodoctoral Appointee Argonne National Laboratory Materials Science Division - Bldg 223 9700 S. Cass Avenue, Argonne, IL 60439 Phone: 1 (630) 252 9760 Fax: 1 (630) 252 URL: http://www.msd.anl.gov/groups/nxrs/personnel/suescun/index.html -Ori

RE: Powpref

  Good luck Leopoldo     Dr. Leopoldo Suescun Laboratorio de Cristalografía, Estado Sólido y Materiales (Cryssmat)/Dequifim Facultad de Química. CC 1157 Av. Gral. Flores 2124 11800 Montevideo, Uruguay http://cryssmat.fq.edu.uy/leopoldo/leo.htm -Mensaje original- De: Gerard, Garcia S

RE: Enquiry of XRD standard materials

I've heard that yttria gives broader lines. Thanks Leopoldo Dr. Leopoldo Suescun Laboratorio de Cristalografía, Estado Sólido y Materiales (Cryssmat)/Dequifim Facultad de Química. CC 1157 Av. Gral. Flores 2124 11800 Montevideo, Uruguay http://cryssmat.fq.edu.uy/leopoldo/leo.htm "La emi

Re: instrumental correction

rofile is not really feasible. > > However, I am old now, and things may have evolved ?-). Is someone > deconvoluting daily his whole powder pattern somewhere, removing > the instrumental contribution ? > > Best wishes, > > Armel > > PS - do not confuse deconvolution with

transforming data on Q to 2theta

advance. Leopoldo Dr. Leopoldo Suescun Laboratorio de Cristalografía, Estado Sólido y Materiales (Cryssmat)/Dequifim Facultad de Química. CC 1157 Av. Gral. Flores 2124 11800 Montevideo, Uruguay http://cryssmat.fq.edu.uy/leopoldo/frame.htm "No venderé el rico patrimonio de los Orientales al