Re: information

l Filter, then the polarization is equal to 1.000 Davide Levy wrote: Dear all, which is the best value for the polarization in GSAS when you have a data collected on 'XPERT diffractometer with a Xcellerator detector? Thank you Davide -- Dr. Andreas Leineweber Max-Planck-Institu

Re: phase id for Friday refreshment

e.com/rietveld_l@ill.fr/ ++++++ -- Dr. Andreas Leineweber Max-Planck-Institut fuer Intelligente Systeme (ehemals Max-Planck-Institut fuer Metallforschung) Heisenbergstrasse 3 70569 Stuttgart Germany Tel. +49 711 689 3365 Fax. +49 711 689 3312 e-mail: a.leinewe...@mf.mpg.de home p

Announcement of a summer school on X-ray powder diffraction in 2014

. The official language of the summer school is English. Further information is available at http://www.kofo.mpg.de/iycr/index.html This page will be updated soon to provide more details on the program. Best regards Andreas Leineweber Also in the names of my fellow organisers Claudia

Summer School on X-ray powder diffraction 2014 in Ellwangen (Germany), Update

fee covering the cost for accommodation in Ellwangen. Best regards Andreas Leineweber Also in the names of my fellow organisers Claudia Weidenthaler, Robert Dinnebier, Malte Behrens and Christoph Kirchlechner. -- Dr. Andreas Leineweber Max-Planck-Institut fuer Intelligente Systeme (ehemals

Re: Preferred orientation and lattice parameters

nysb.edu/~pstephens <http://mini.physics.sunysb.edu/%7Epstephens> Please update your records to my new email: peter.steph...@stonybrook.edu <mailto:peter.steph...@stonybrook.edu> -- Dr. Andreas Leineweber Max-Planck-Institut fuer Intelligente Systeme (ehemals Max-Planck-Institut fuer Metal

Re: Stacking faults and antiphase boundary

quot;rod" in 3D reciprocal space (coming from 2D defects) gives step-like profiles in a 1D powder pattern. Although you generally only know that if you've also got data from a single crystal :-) Cheers, Jon -- Dr. Andreas Leineweber Max-Planck-Institut fuer Intelligente Systeme (ehemals

Re: Stacking faults and antiphase boundary

.mpg.de/de/mittemeijer -- Dr. Andreas Leineweber Max-Planck-Institut fuer Intelligente Systeme (ehemals Max-Planck-Institut fuer Metallforschung) Heisenbergstrasse 3 70569 Stuttgart Germany Tel. +49 711 689 3365 Fax. +49 711 689 3312 e-mail: a.leinewe...@mf.mpg.de home page of department: ht

Re: lorentzian line broadening with specific hkl rules

recent examples also beyond the old works on metals, you might check for works which have been performed using the software Diffax or Faults. Best regards Andreas Leineweber Am 12.08.2019 um 18:11 schrieb Bianchini, Matteo (INT): Dear Rietveld people, I am hoping to find some advice on

Re: Introduction of non-structural peaks in Fullprof

at the mentioned fractional coordinates. I, however, definitely enjoy using software where you can combine Rietveld refinement with individually fitted peaks without relying to such tricks. Best regards Andreas Leineweber Am 25.04.2022 um 17:36 schrieb Magnus Sørby: Dear Thierry and

Re: cubic lithium niobium oxide

ck salt superstructure oxides, J. Mater. Chem. 10 (2000) 2219. Andreas Leineweber MPI fuer Metallforschung Seestrasse 92 Stuttgart/Germany

introducing myself

Hi, although I already sent a short reply to a message, I just want to introduce myself as a a new subscriber to the Rietveld mailing. My name is Andreas Leineweber and I am scientist in the department of Prof. E. J. Mittemeijer, Max-Planck-Institut for metals research (Max-Planck-Institut fuer

stacking fault models in GSAS

rence the "stacking sublattice vectors" and the refinable variables have been defined? Are there publications in which such a stacking fault model has been applied in the course of a Rietveld refinement using GSAS? Thank you very much Andreas Leineweber -- Dr. Andreas Leine

Re: Inquiry about setting up the occupancy constraint in GSAS (fwd)

e does not work, contact me directly. Andreas Leineweber -- Dr. Andreas Leineweber Max-Planck-Institut fuer Metallforschung Seestrasse 92 70174 Stuttgart Germany Tel. +49 711 2095 527 Fax. +49 711 2095 420 e-mail: [EMAIL PROTECTED] (formerly [EMAIL PROTECTED]) home page of department: http:/

11-B pieces (not powder)

Dear all, does someone know a source for 11-Boron (maximum about 2.5% 10B, better less) in the form of pieces? Powder is readily available, but solid pieces are difficult to get. I need pieces for preparative reasons. Best regards and thank you Andreas Leineweber -- Dr. Andreas Leineweber

Re: magnetic sturucture refinement

eneral, there can be structures with hexagonal nuclear structure and a configurational symmetry lower than hexagonal. In that case the magnetic moment direction perpendicular to the c axis does not get lost. Therefore, one must be careful to what types of symmetry the terms "cubic", "hexagonal&

Re: thermal parameters at low temperature

rameters negative although the model seems to be quite right (the data at room temperature behaved well with the same model). From your experience, is this the case of a wrong model? I really appreciate any comment! Thank you! Liliana -- Dr. Andreas Leineweber Max-Planck-Institut fuer Metallf

Re: thermal parameters at low temperature

ome of the > thermal parameters negative although the model seems to be quite right (the data at > room temperature behaved well with the same model). From your experience, is this > the case of a wrong model? > > > > I really appreciate any comment! > > Thank you! &

Re: a question on space group

It is the orientation of the m mirror axis and the c glide planes with respect to the "Blickrichtungen", directions of view, which are defined differently for each crystal system. For the hexagonal one the first one is [001], the second one is [100], the third one [120]. See page 15 of the blue

Re: Defining the origin of P2/n

of inversion. All space group types belonging to a centrosymmetric crystal class have one or several Wyckoff sites with centre of inversion. Therefore, there must be a position (there are several ones) with fixed z coordinate. Andreas Leineweber Kurt Leinenweber wrote: Yes, but the atom doesn&#

Re: density of dislocations from the lattice microstrains

mine them by X-ray powder diffraction. (perhaps an exteme statement). Andreas Leineweber [EMAIL PROTECTED] wrote: Dear colleages, Could any of you give the details about the procedure (equations, methods) to deduce the density of dislocatins from the lattice microstrains obtained from the Stokes

Re: GSAS information (anisotropic microstrain)

anisotropy constitutes a special case of the Stephens model. Best regards Andreas Leineweber Brian H. Toby wrote: My advice on this question is that one should not use this approach. The Stephens formalism, coded in profile type 4, is better founded by theory. See the GSAS manual and reference to

Re: GSAS information (anisotropic microstrain)

onsiderably. Best regards Andreas Leineweber MPI für Metallforschung Heisenbergstraße 3 70569 Stuttgart

Re: Has anybody answered Yong-Il Kim 's question about occupancy

g4 #5 C x2 y2 z2 g5 #Phase variable atom no. coeff 1 frac11 1 frac4 -1 1 frac21 1 frac5 -1 Thanks in advance, Charles -- Dr. Andreas Leineweber Max-Planck-Institut fuer Metallforschung Heisenbergstrasse 3 70569 Stuttgart

Re: Is there solution for this issue!

ing Physics Group >Institute for Materials Research >Maxwell Building 111 >University of Salford >Salford, Greater Manchester >United Kingdom M5 4WT >Tel:0161 295 4633 >Facsimile:0161 295 5147 >Email:[EMAIL PROTECTED] >** > > > >

Re: Question about dealing with size and Strain in Rietveld

broadening. See also in J. Appl. Crystallogr. 37 (2004) 123ff for this and the relation of this function to the Stephens model Peter pointed at. -- Dr. Andreas Leineweber Max-Planck-Institut fuer Metallforschung Heisenbergstrasse 3 70569 Stuttgart Germany Telephone: +49 (0)711 689 3365 Telefax: +49

Re: GSAS informations

ions can be lifted, e.g. when you have direction dependent line shapes of the broadening contribution to the peak shapes. But maybe that could also be better modelled by direction dependent shape factors compatible with the crystal symmetry. Andreas -- Dr. Andreas Leineweber Max-Planck-Institut fu

Re: Simulating TEM patterns

t can simulate TEM diffraction patterns for a given crystal structure. A program that just calculates the position of the diffraction spots from the unit cell and space group (neglecting intensities) would be sufficient. Any suggestions? Best regards, Magnus H. Sørby -- Dr. Andreas Leineweber Max-P

Re: Point defect and broadening

Simply said: in 3 dimensions no, although many people think so. E.g. solid solutions can have very sharp reflections when they are homogeneous and contain no EXTENDED defects, e.g. dislocations. See the books by Krivoglaz and Guinier. Andreas Leineweber [EMAIL PROTECTED] wrote: Dear All, Do

Re: AlB2-related intermetallic compounds

Dear Yap, if the e-mail address does not work any more: Prof. Pöttgen is now in Münster: pottgen@uni-muenster.de Best regards Andreas Leineweber Julius Schneider wrote: Hi Yap, here is the email adress of the correspondence author Rainer Pöttgen : [EMAIL PROTECTED] Just ask him

back loading

working with the Philips/Panalytical sample preparation equipment. -- Dr. Andreas Leineweber Max-Planck-Institut fuer Metallforschung Heisenbergstrasse 3 70569 Stuttgart Germany Telephone: +49 (0)711 689 3365 Telefax: +49 (0)711 689 3312 [EMAIL PROTECTED] http://www.mf.mpg.de/de/abteilungen

Re: back loading / texture effects

may not be needed when powders are finely ground and are not too highly absorbing, but it never hurts. Spinning can also simplify texture treatment, by reducing the potential anisotropy from three axes to two. Brian -- Dr. Andreas Leineweber Max-Planck-Institut fuer Metallforschung Heisenber

Re: GSAS - p 63/m m c

; > > > /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/ > > Apu Sarkar > > Research Fellow > > Variable Energy Cyclotron Centre > > Kolkata 700 064 > > phone: 91-33-2337-1230 (extn. 3190) > > Fax: 91-33-2334-6871 > > INDIA > > /_/_/_

Re: shape of the instrumental profiles

ibutes with a constant shape but a width proportional to tan(theta) to the overall profile. Since tan(theta) becomes large at high angle, this dominates at high angles. Best regards Andreas Leineweber Angel L. Ortiz wrote: Dear colleagues:   Does anyone know why the instrume

Re: A question about stacking faults

e not worked with these papers in detail, but I think the authors claimed that there were severe approximations made by Warren, and the changes are considerable. Best regards Andreas Leineweber ling yang wrote: Dear all,   Are there anybody experienced in stacking faults? Please

Re: pseudosymmetry

re welcome. Further I am interested in your opinion about the "Distance Least Squares Procedure" to avoid these artefacts. Thank you in advance Friedrich -- Dr. Andreas Leineweber Max-Planck-Institut fuer Metallforschung Heisenbergstrasse 3 70569 Stuttgart Germany Telephone: +49 (0)7

Re: Hydrogen positions from lab-PXRD

s in advance, Leonid __ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com -- Dr. Andreas Leineweber Max-Planck-Institut fuer Metallforschung Heisenbergstrasse 3 70569 Stuttgart Germany T

Re: Hydrogen positions from lab-PXRD

the Bromide and Iodide were done on single crystals). A. Leineweber, H. Jacobs, P. Fischer, G. Böttger: Uniaxial orientational Order-Disorder Transitions in Diammine Magnesium Halides: Mg(ND3)2Cl2 and Mg(ND3)2Br2 investigated by Neutron Diffraction, J. Solid State Chem. 156 (2001) 487-499.

Re: Size Strain In GSAS

(and perhaps P) gives you quantities whiuch you should be able to relate to size related quantities upon reading the GSAS manual and some line broadening literature. Best regards Andreas Leineweber > Dear Prof. Lutterotti, > I was also aware of the fact that GSAS is not made for

Re: Gobbel Mirror

se also polarisation is different, but that should not give a dramatic effect. Best regards Andreas Leineweber eli lancry wrote: Dear Rietvelders, I am working with few molybdenum chalcogenides (hexagonal) and I have noticed that when I measure it (micronic powder in a flat sample

Re: sof for Cr/Ti with the constraint of over all stoichiometry

should be tranferrable to the s.o.f. conventions of Fulprof. Best regards Andreas Leineweber zhongle huang wrote: Dear All, I am treating the neutron data of Cr3.15Ti1.85Te8 with the Fullprof. Cr3.15Ti1.85Te8 crystallizes in a monoclinic system with space group F2/m. There are four crystallogra

Re: profile matching from diffused diffraction pattern

microstructure with strained crystallites as a result of such a transformation (see e.g. Z. Krist. 220 (2005) 726). A software with which you can program both cases by yourself is Topas, which is however not free of charge. Best regards Andreas Leineweber Namsoo Shin wrote: Dear all

Re: Structure of Potassium chloride

For KCl even a good old (e.g. solid state chemistry or crystallography) textbook may help Andreas Leineweber [EMAIL PROTECTED] wrote: Hi, Can some one tell me the crystal structure of Potassium Chloride. I tried to look at the ICSD database. It doesnt seem to work. Thankyou. regards

Re: Fe3N P312 space group 149 space gfroup number

Sorry to all for sending the pdf files on the list, it was intended to go directly to the person who asked. Andreas Leineweber -- Dr. Andreas Leineweber Max-Planck-Institut fuer Metallforschung Heisenbergstrasse 3 70569 Stuttgart Germany Tel. +49 711 689 3365 Fax. +49 711 689 3312 e-mail

Size-Strain V, 2007

://www.mf.mpg.de/ss-v. This web page will be updated as soon as new information is available. Best regards Andreas Leineweber -- Dr. Andreas Leineweber Max-Planck-Institut fuer Metallforschung Heisenbergstrasse 3 70569 Stuttgart Germany Tel. +49 711 689 3365 Fax. +49 711 689 3312 e-mail: [EMAIL

Re: FullProf problem in R3m

spam protection around http://mail.yahoo.com -- Dr. Andreas Leineweber Max-Planck-Institut fuer Metallforschung Heisenbergstrasse 3 70569 Stuttgart Germany Tel. +49 711 689 3365 Fax. +49 711 689 3312 e-mail: [EMAIL PROTECTED] home page of department: http://www.mf.mpg.de/de/abteilungen

Re: Stephens Model:GSAS

y the situation is very complicated, if you have several indepedent microstrain broadening contributions. Best regards Andreas Leineweber [EMAIL PROTECTED] wrote: Dear All, I am carying out Rietveld refinement of a deformed polycrystalline sample. WH plot shows anisotropic broadening of

Re: Cell parameter constrain

aluso 35 I-10125 Torino Italy Phone: +(39)0116705122 -- Dr. Andreas Leineweber Max-Planck-Institut fuer Metallforschung Heisenbergstrasse 3 70569 Stuttgart Germany Tel. +49 711 689 3365 Fax. +49 711 689 3312 e-mail: [EMAIL PROTECTED] home page of department: http://www.mf.mpg.de/de/abteil

Call for Papers

te list of confirmed (status of today) keynote and invited lectures has been included at the bottom of this e-mail. Hoping to see you in Garmisch-Partenkirchen, Andreas Leineweber also on behalf of Eric Mittemeijer, Chair also on behalf of Paolo Scardi, Co-Chair Udo Welzel INVITED CONTRIBUTIONS

Call for Papers, correction

correction: The abstracts should be prepared using Microsoft Word, EMPLOYING A TEMPLATE available at the above-mentioned web site. (www.mf.mpg.de/ss-v) Andreas Leineweber -- Dr. Andreas Leineweber Max-Planck-Institut fuer Metallforschung Heisenbergstrasse 3 70569 Stuttgart Germany Tel. +49 711

Re: ICSD Card for H2Ti2O5.xH2O

Li(+)/H(+) exchange on Li2Ti3O7. Mater. Res Bull 27 (1992) 75-85. This reference may help you. Andreas Leineweber -- Dr. Andreas Leineweber Max-Planck-Institut fuer Metallforschung Heisenbergstrasse 3 70569 Stuttgart Germany Tel. +49 711 689 3365 Fax. +49 711 689 3312 e-mail: [EMAIL PROTECTED

Re: Stephen's anisotropic microstrain parameters in GSAS

knowledge) difficult in GSAS. The actual physical background for the limits for SHKL is the fact that the "Stephens model" is based on a correlated multivariate lattice parameter distribution, and the correlation coefficients between the lattice parameters must fall between -1 and 1.

Re: GSAS: Microstrain parameters in rhombohedral SGs

gonal setting for the crystal structure. Best regards Andreas Leineweber Franz Werner wrote: Hello All Can anyone tell me how the indices of the S(hkl) parameters are treated in GSAS in the case of a rhombohedral SG in hexagonal setting? Do the hkl refer to the rhombohedral or hexagonal axes

Re: GSAS: Microstrain parameters in rhombohedral SGs

(1999) paper. But please tell me if I got something wrong Best regards Andreas Leineweber Franz Werner wrote: Dear Mr Leineweber actually I am wondering about your parameters. May it be that S310 is instead S301?? If the former is the case, you use the hexagonal setting, which I would

Re: Suggestion about software(s) for size profile-broadening calculation

Dear Ed, you need to take the cos(theta) instead of the sin(theta). Of course you have to consider the instrumental resolution, otherwise you underestimate size. Good recovery (or what you say in English...) Andreas Leineweber Edward Laitila wrote: Stephen, The peak profile gives

Re: problem regarding the forum

Dear Mr. or Ms. Prasun, Of course you do not get an answer if nobody writes one It may have different reasons why some requests/demands do not get an answer. This may have to do with the particular topic, or with the way how the question is formulated So your question was: consideri

Re: Anisotropic strain

common for "laminar" structures and may give to quite complex diffraction phenomena. Best regards Andreas Leineweber Ross H Colman wrote: Dear Rietvelders, I am a PhD student working at UCL (UK) and was wondering if anyone out there could help me with a diffraction related problem:

Re: Rietveld with GSAS

rom my fit and nothing else apart from that. I have not tried imposing any 'preferred orientation' on the material, however, since mine one is simply as-cast and annealed. Can you suggest a way out to make this work, please? kind regards -- Dr. Andreas Leineweber Max-