Dear Rietvelders
Specifically to the MAUD community.
Some features in MAUD are not working properly (in my case).
For example:
1. I wish to model to layers. The upper layer is a film contains a mixture
of three phases. Beneath a layer (film) with a single phase. However, it
seems that modeling us
Dear Colleagues,
I need your expert point of view on the complex problem associated with the
thermal parameters.
Description:
New crystal structure contained Ba, Ca, K, P,O elements (with some Mn,Eu
dopants) was solved and refined using Topas 4.2. The Checkcif tool found only a
few Alert C, na
Bob van Laar and I wrote an article about the development of the
powder Profile Refinement at the Reactor Centre Netherlands. This
method is later called Rietveld refinement. We show that there were
three persons involved in this enterprise, Bert Loopstra for the
idea, Bob van Laar for the math
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Mit freundlichen Grüßen
Christian Selleng
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Bundesanstalt für Materialforschung und -prüfung (BAM)
Dipl.-Min. Christian Selleng
7.1 Baustoffe
Unter den Eichen 87
12205 Berlin
T: + 49 30 8104-1712
F: + 49 30 8104-1707
chri
Dear Friends
I am doing rietveld refinement on fullprof suit can anybody tell me how to
find impurity phases present in main phase?
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Dear Colleagues,
As you certainly know, the UN ban treaty negotiations will start on
March 27. This is one important step towards nuclear weapons abolition.
The Future of Life Institute has issued an open letter supporting the
negotiations: https://futureoflife.org/nuclear-open-letter/
It i
I am deeply touched by the sad demise of Professor H. Rietveld. We present our
sincere condolences to his family, his friends and all those who knew him. May
his soul rest in peace. His unique contribution to the field of
crystallography and building magnetic structure will be remembered fo
Dear Colleagues,
Much indebted to each and everybody for the help with my problem.
Thank you!
Best,
Artem
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The Rietveld_L list a
Dear Leonid,
On Apr 3, 2014, at 7:16, Leonid Solovyov wrote:
>Dear Luca,
>
>I'm glad to see your interest to the problem even after such a delay.
>
>>So in the end, your model for faulting as you describe:
>>"A more general model [J Appl Cryst (2000) 338] is included in DDM:" was
to use a trigon
>>All deviations from expected values (1.514 and 1.634) are within 3 e.s.u.s
>>that are around 0.03 A in average.
>About absurdity, there are different sensibilities...
>With such a definition above, 1.72(3) instead of 1.634 is just OK for
>Leonid. Where would he see a limit before applying r
Dear Rietveld community;
I would like to fit SAXS data in order to extract grain-size distribution, pore
size distribution, etc.
I would like to hear your oppinion regarding the software suitability for the
refinement of SAXS data under the Windows 7 platform?
Regards,
Igor
Dear Dave,
Again, without data it is difficult to say what is right or wrong…
I see that you did not refine the LY parameters responsible for strain
broadening. It means that you neglect the microstrain effect which is hardly
reasonable especially for ball-milled samples.
Regards,
Leonid
*
Hi,
How can I determine the location of cations such as Ca Mg (a carbonate
mineral) ? Are there any techniques to define their location (even their
surface abundance on crystal structure is sufficient for me ) ?
Pls note that I have this sample in clay material, meanly it is not "pure"
(Impossibl
Laks Lakshminarasimhan has invited you to Jhoos
Hi,
I have just joined the Jhoos Dating network. I wish to invite you to Jhoos as
well.
Jhoos is a Dating Network with chat facilities that would let you search for
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See you at Jhoos
Laks Lakshmi
Dear all
I need a pdf book of the Rietveld method i dont have money to buy him
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Dear all,
Can anyone tell me what will be the real and imaginary dispersion
correction terms in the atomic scattering factor if Co-Ka is used to study Fe
sample? And also is there any online database to get these values? Thanks in
advance,
Dear Wenduo
Some pointers: makes sure you have good data and good models to start with. If
you arn't getting low(ish) Rwp factors you arn't getting a reliable
quantitative result. If you collected on flat-plate geometry it is likely you
have some preferred orientation which messes up your resu
Dear
I would like to ask you for the explanation of the crystallographic notation D23
Thank you
Jana
Jana Bezjak
Jozef Stefan Institute
Jamova 39
SI-1000 Ljubljana, Slovenia
Advanced Materials Department
+386 (0)1 477-35-47
Dear All
We have a Bruker D8 and are collecting multiple datasets for material such
as cements against time. We use the Bruker's EVA software for 3D plotting of
the data and also contour type plots.
Is there any freeware available that will read in RAW format files
Thanks
Professor J.C. Knowles
Dear
I am looking for sombody who knows convergent beam electron diffraction (CBED).
I know my compound crystallize within the hexagonal lattice but I do not know
the space group which I have to know if I want to solve the crystal structure.
Please let me know for anybody how could help me with
Dear All
I try to describe the crystal structure
of a material from BaO Nb2O5-WO3 system with Rietveld refinement method. I get
abnormal thermal parameters (Beq) for Ba, O and Nb. Has somebody faced a problem
like that and how do I limit the Beq, I mean what are the proper
values?
Thank
Dear all, my question is:
I'm refining neutron powder diffraction data of an oxide containing several
metals. In my model I use the nominal composition; generally speaking, is it
meaningful trying to refine the occupation of an atomic species whose
concentration is few percent?
Note that the d
Hello everybody,
I am a graduate student at University of Houston.I
intend to use EXPGUI to model nano clusters embedded
in pours structures. I collected my Anomalous x ray
data sets at edge and off edge energies.
First I need to scale the two data sets properly and
then refine them simultaneous
sig [EMAIL PROTECTED]
SIG [EMAIL PROTECTED]
Dear all,
I have a problem with the new version of Fullprof. I cannot obtain the
calculation of the bond distances and bond angles; at the end of the
refinement a FILE_1.dis is generated, ending with the sentence "PROGRAM_STR
finished in error!", instead of the expected FILE.dis. Note that I selec
Hi,
there is a software called "fp_studio" distributed with the recent version
of Fullprof.
Good luck
--
Dr Loreynne PINSARD-GAUDART
Laboratoire de Physico-Chimie des Solides
UMR 8648
Bat.414-Universite Paris XI
91405 ORSAY Cedex - F
Dear all,
does anybody know a free software for plotting magnetic structures?
Thanks in advance for help.
Alberto
Dear all,
I'm refining a crystal structure with Pnma space group using Fullprof;
since it appears strained I refined also the microstructural parameters
using strain model=3. my questions are: 1) are negative values meaningful
or only positive values must be considered? 2) what is the unit of
measu
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Riza Iskandar
Research Center for
Materials Science
University of Indonesia
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Dear all,
I've got a problem with the Rietveld refinements of synchrotron data.
I'm using Fullprof and the problem is that the overall B, and then also
some of the isotropic displacement parameters, fall down to negative
values. I'm not very experienced in the treatment of synchrotron data and
ma
Does anybody know where to find RIR values for minerals (database or something)
Thank you.
John
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Hello everyone,
My name is John Karagiannis and I have just been subscribed to this mailing list. I am
a geologist and my job is to study the microstructure of cement
raw materials, clinker etc for the Hellenic Cement Research Center - EKET Ltd..
We recently purchased in EKET a new software for
Dear Rietveld users,
I have some difficulty to refine a structure. A double-lattice
superstructure is suppose to superimpose on the orginal one, the lattice length
is slightly deviated. But when I tried to do this, the refinement is poor even
after I fix the fraction of the 2nd phase to be
Hello,
Does anybody know how do you move the thick marks
in the peaks position because though I have a good fit they are all shifted
to the left. Shall I refine ZERO?
Anticipated thanks to any kind of
suggestions.
Doinita
Hi All,
There is a new version of Windows GSAS on the CCP14 web server. The biggest change is
that it will now do Pawley style extractions for one set of reflections from multiple
powder patterns. This is done inside GENLES. See below for note on this & other
changes. Linux & other versions will
Dear all,
I have some questions concerning the refinement of
the gppd data and would appreciate your advice:
1) The patterns show some kind of texture(up and
down on the error curve), but the sample is powder(although maybe the granules
are large) and should be isotropic. All banks show thi
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References: <[EMAIL PROTECTED]>
Subject: Re: ASCII export from Topas?
Date: Fri, 21 Jun 2002 17:46:21 +0200
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Lis
I installed GSAS in windows2000 operating system. I added in the path
c:\gsas\exe and also set the variables GSAS and PGPLOT_FONT, however the
program starts to run and then always produces an error: Access violation
at address 0041366F. Read of address 646E6997.
Could someone indicate a possibl
Dear all,
I didn't get mails from rietveld list for the past three days, I
am expecting the mails, and this is the just test.
Sorry for the disturbance,
with greets
yours sincerely
Murugesan.S
A
I am presently refining crystal and magnetic structure of MnSe using
Fullprof. MnSe exhibits staking faults and because of which some of the
reflections are unusually broad. Can any one tell me how to account for
staing faults using the fullprof refinement program? I am new to this
field and a det
Dear colleagues,
I am using Fullprof for a Rietvield refinement of a inorganic-organic structure.
The organic molecule is a aliphatic diamine (1.12 diamine).
In order to reduce the number of parameters to refine, I would like to try a
refinement with a rigid model.
I am looking for an example o
I have noticed a systematic Rwp improvement about 1% in my Rietveld
refinements carried out with data our difractometer, as it is included an
aditional phase (I use Aluminium, but works with other) but with very
broadened peaks (those of crystals about 1 cell in size).
Is this improvement due to
Hi,
Can any one give me suggestion about the fractional(
x,y,z) coordinates, temperature factors etc. of
Clinoptilolite(K2, Na2, Ca)3Al6Si30 O72.2H20
( Zeolite).
Thanks
Mainak Mookherjee
Graduate student in Mineral Sciences
Do You Y
I recently have tried, for the first time, the fundamental parameters
approach to fitting powder diffraction data using the XFIT program. To the
best of my knowledge I am using a reasonably well aligned system (with a
theta compensating slit in place of a fixed divergence slit), yet when I
refine
UNS rietveld_l [EMAIL PROTECTED]
I have refined a structure at different temperatures (10-300K). The lattice constant increases with increasing temperature. At low temperature (below 50K) the variation is not linear. In some papers , I have read that a simple Debye model is sufficient to fit this behavior. Is is correst? In this c
Hi all.
I will finish my PhD at the end of september and I'm looking for a post
doctoral position beginning in october or november 2000. My PhD deals with
skutterudite compounds and thermoelectricity. I'm particullaly involved in
the field of powder X-Ray and Neutron diffraction (and also XAS, ma
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