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

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

Re: Stacking faults and antiphase boundary

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 Max-Planck-Institut fuer

Re: Stacking faults and antiphase boundary

. 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: http://www.is.mpg.de/de/mittemeijer

Re: Preferred orientation and lattice parameters

for Curriculum, College of Arts and Sciences Stony Brook University (631) 632-8156 http://mini.physics.sunysb.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

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

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

Re: phase id for Friday refreshment

://www.mail-archive.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

Re: information

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-Institut fuer Metallforschung Heisenbergstrasse 3 70569

Re: Anisotropic strain

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: I am attempting to refine

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: 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: Stephen's anisotropic microstrain parameters in GSAS

) 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. Best regards Andreas

Call for Papers

(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 O. Thomas (Univ

Re: Stephens Model:GSAS

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 the profile. If I incorporate

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: 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: 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: 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 holder)

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 Size Strain analysis

Re: Hydrogen positions from lab-PXRD

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. -- Dr. Andreas

Re: pseudosymmetry

ther 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)711 689 336

Re: A question about stacking faults

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 help me

Re: GSAS - p 63/m m c

1 INDIA /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/ -- 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/mittemeijer/english/index_english.htm

Re: back loading / texture effects

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 Heisenbergstrasse 3 70569

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: Simulating TEM patterns

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-Planck

Re: Question about dealing with size and Strain in Rietveld

. 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 (0)711 689 3312 [EMAIL PROTECTED] http

Re: Is there solution for this issue!

Tel:0161 295 4633 Facsimile:0161 295 5147 Email:[EMAIL PROTECTED] ** -- 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

Re: GSAS informations

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 fuer Metallforschung Heisenbergstrasse 3 70569

Re: GSAS information (anisotropic microstrain)

Andreas Leineweber MPI für Metallforschung Heisenbergstraße 3 70569 Stuttgart

Re: density of dislocations from the lattice microstrains

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)

of 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

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't

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: thermal parameters at low temperature

! Liliana -- 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/mittemeijer/english/index_english.htm

Re: magnetic sturucture refinement

the terms cubic, hexagonal and tetragonal refer to (nuclear structure, configurational symmetry, or full magnetic space group symmetry (Schubnikov group)). Best regards Andreas -- Dr. Andreas Leineweber Max-Planck-Institut fuer Metallforschung Heisenbergstrasse 3 70569 Stuttgart Germany Tel. +49 711 689

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

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://finix.mpi

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

stacking fault models in GSAS

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 Leineweber Max-Planck-Institut fuer Metallforschung

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