I am looking for a structure for Amesite (Mg2Al)(AlSiO5(OH)4) said to be
C1 or P63.
There are polymorphs. See Zheng,H. Bailey,SW. (1997) Clays Clay Min. 45,301
BTW, this kind of question can be answered in a flash with ICSD, which every
inorganic crystallographer needs :-) Amesite is even
I know that Armel likes to be a little provocative sometimes (who doesn't
:-) but there are many people on the neutron mailing list who are only too
happy to be convinced that X-rays can do it all. Then they can use the
money instead to build the latest version of their fancy spectrometer for
hat the Clio is one of the smallest cars in Europe ! (And people who buy
them are always trying to pass me on the highway).
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] tel (33) 4.76.20.72.13
ftp://ftp.ill.fr/pub/dif fax (33) 4.76.20.76.48 http://www.ill.fr/dif/
These questions are easily answered by ICSD (http://barns.ill.fr/dif/icsd/
At 11:16 22/10/99 -0500, you wrote:
Does anyone have references to the structures of tobermorite,
Ca5Si6(O,OH,F)18_5H2O, and/or rapidcreekite, Ca2(CO3)SO4_4H2O? Any
information will be greatly appreciated.
Hamid,SA.
(The server is a Unix machine, not Linux).
Please check your archive set-up Armel. It might be something to do with
the world being upside down because of the result of the rugby world cup
final :-)
Alan.
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] tel (33) 4.76.20.72.13
ftp
Could someone provide me with a reference and/or atomic coordinates for
archerite (ICDD 34-807)? Any help will greatly appreciated.
From ICSD:
Ono,Y. Yamada,N. (1991) J.Phys.Soc.Jpn 60 533-538
A structural study of the mixed crystal K0.77 (N H4)0.23 H2 P O4
Dr Alan W. Hewat, Diffraction Group
Structure Database and the
American Mineralogical Society database, both available on WWW ? (see prev.
postings)
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] tel (33) 4.76.20.72.13
ftp://ftp.ill.fr/pub/dif fax (33) 4.76.20.76.48 http://www.ill.fr/dif/
A O2 0.41890 0.11630 0.09900 0.65000
1.0
A O3 0.75600 0.12360 0.07930 0.43000
1.0
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] tel (33)
4.76.20.72.13
ftp://ftp.ill.fr/pub/dif
fax (33) 4.76.20.76.48
http://www.ill.fr/dif/
Hello all,
Does anyone have any pointers (eg WWW pages) for information about
neutron scattering on the (relatively) new reactors in Argentina, Egypt
and Peru ? No, I'm not thinking of leaving France :-)
Alan.
Dr Alan W. Hewat, Diffraction Group Leader,
Institut Laue-Langevin Grenoble
At 16:08 06/09/2000, you wrote:
I am interested in drawings/figures of the structure of alfa-Mn2O3, with
special concern for the polyhedral coordination of Mn, for both space
groups Ia3 and Pcab. Do some of you know where to find this???
You will find 3D VRML drawings of these Bixbyite and
the latest NVidea graphics card, which is faster at 3D than anyone
could really want :-)
Best wishes, Alan.
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] tel (33) 4.76.20.72.13
http://www.ill.fr/dif/AlanHewat.htm fax (33) 4.76.20.76.48
ftp://ftp.ill.fr/pub/dif
At 14:27 31/05/2000, you wrote:
Could somebody send me information about the structure of
(synthetic) anorthite (CaO-Al2O3-2SiO2)?
Try the following from ICSD also http://www.geo.arizona.edu/xtal-cgi/mgate
Matsui,T. Kimata,M. (1997) European Journal of Mineralogy (1,1989- 9 333-344
Crystal
At 14:53 05/01/2001, Andy Fitch [EMAIL PROTECTED] wrote:
Nothing to do with site occupancies, fractional occupancy versus actual
number of atoms, I suppose?
I bet Andy is right and the occupation numbers are being used incorrectly.
If the GSAS file produces the correct drawing of the
Just a reminder that ESRF and ILL are organising a workshop on:
"Environmental Studies Using Neutron and Synchrotron Facilities"
20-21 February, ILL Grenoble, France.
http://www.esrf.fr/conferences/usersmeeting01/environment/index.html
Of course the environment of
At 01:07 08/02/2001, you wrote:
I am looking for a structure for chlorartinite Mg2(OH)ClCO3!3H2O if available
Chlorartinite Mg2(OH)ClCO3(H2O)3 is the chloride analog of artinite
Mg2(OH)2CO3(H2O)3, which is listed in ICSD http://barns.ill.fr/dif/icsd
even if chlorartinite itself is not.
I
At 19:26 08/02/2001, you wrote:
someone could give me the structure of silicon carbide 6H ? please?
From ICSD (look for Moissanite, there are 41 entries):
Shaffer,PTB. (1969) Acta Crystallogr.,Sect. 25 477-488
A review of the structure of silicon carbide
GomesdeMesquita,AH. (1967) Acta
. Bertaut,E. (1976) Acta Crystallogr.,Sect. 32 1749-1755
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax direct (33) 4.76.20.76.48
tel (33) 4.76.20.72.13 (or .26 Mme Guillermet)
http://www.ill.fr/dif/AlanHewat.htm
At 14:14 28/03/2001, you wrote:
The search was on two words : "powder" AND "diffraction", occuring
either in the title or in the abstract, or in the keywords, or somewhere.
Seems a pretty restrictive criterion, and likely to favour papers on
technique rather than science (though I note that
You really think that MgB2 will give more ? Maybe... just routine to do so.
Armel, it was you who asked if boron was possible with neutrons, and when
you are told that it is, you say that anyway it is borin' (excuse the pun :-)
Well, let me predict the future of the coming paper : high
TITL Li2 Sn O3 Die Kristallstruktur von Li2SnO3 Kreuzburg G Stewner F Hoppe
Actually a more recent paper (using neutron Rietveld refinement :-) is:
Hodeau,JL. Marezio,M. Santoro,A. Roth,RS. (1982) J.Solid State Chem 45 170-179
Neutron Profile Refinement of the Structures of Li2 Sn O3 and Li2 Zr
:-)
Only exception is Bob von Dreele, who kindly posted the GSAS source for the
benefit of Armel :-)
Alan.
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax direct (33) 4.76.20.76.48
tel (33) 4.76.20.72.13 (or .26 Mme Guillermet)
http://www.ill.fr/dif/AlanHewat.htm
://starbase.neosoft.com/~zkrr01/ you can then graphically edit
files on your Unix server from your home PC, even across a firewall on an
ordinary telephone line. Amazing :-)
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax direct (33) 4.76.20.76.48
tel (33) 4.76.20.72.13 (or .26 Mme Guillermet
At 11:23 11/08/2001, Lachlan Cranswick wrote:
A list of canned programs for doing bond-valence calculations follows.
(Any additions/corrections appreciated):
ICSD-for-WWW http://barns.ill.fr/dif/icsd/ also calculates bond valence
sums when you ask for the structure to be drawn. See:
At 15:50 27/08/2001, you wrote:
I want off of this list. Help. It is either [EMAIL PROTECTED] or
[EMAIL PROTECTED]
OK, done. Alan H.
Dr Alan W. Hewat, Diffraction Group Leader.
Institut Laue-Langevin, BP 156X Grenoble FRANCE 38042
fax (33)4.76.20.76.48 tel (33) 4.76.20.72.13 (or .26)
[EMAIL
Just another test. If this works we should have this message archived on
http://www.mail-archive.com/[EMAIL PROTECTED]/
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33) 4.76.20.76.48
(33) 4.76.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm
___
to the post. I will see if there is
an option for removing this reply facility - it would be quite easy to write a script
to reconstruct email addresses from these variables, and one should not assume that
these robots are stupid.
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33
lists and your server is an archive not a bulletin
board, I'm not sure that you should encourage people to reply outside
the mailing list anyway.
Otherwise, thanks for the initiative in setting up and maintaining
this service. Alan.
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33
At 10:02 15/03/2004, Armel Le Bail wrote:
The preferred orientation (PO)
problem is recurrent at the rietveld_l.
This is normal since PO is one of the biggest problem...
Given that a neutron experiment is very expensive, some
recommendations should be inside of the powder
neutron...
Armel is
ILL currently has an opening for a Research Scientist in its
Diffraction Group. The post represents an excellent opportunity for a young postdoctoral scientist to develop his/her expertise, broaden his/her experience and interact with leading scientists from around the world. Applications from
EXPGUI/GSAS does with the trailing S in P 42/n m c S since this S is special to
ICSD and means that the axes have been chosen to be not at a center of symmetry.
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33) 4.76.20.76.48
(33) 4.76.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif
At 17:07 18/03/2004, Brian H. Toby wrote:
Please remove me from the mailing list-thank you
I seem to provoke the above response every time I post to the list...
Perhaps :-) But you don't see the requests I have from new people wanting to join,
which seem to increase whenever there is some
as
2U.tan(theta) + V = 0 so you can constrain V = -2U.tan(theta)
Theta can be assumed to be about half the monochromator take-off angle (2thetaM) for a
conventional neutron diffractometer eg for 2thetaM=90 you can just approximate:
V=-2U (This was known from the time of Rietveld...)
Alan Hewat, ILL
be on the internet.
Alan.
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33) 4.76.20.76.48
(33) 4.76.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm
___
.
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33) 4.76.20.76.48
(33) 4.76.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm
___
form where that is available. (Bob Downs is
working on making more back issues available on-line).
Alan.
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33) 4.76.20.76.48
(33) 4.76.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm
___
in putting ALL Acta papers on-line.
They have also declined your proposal that they contribute
data to COD and recommend that people support existing
databases instead. So how about helping raise money from
the French equivalent of NSF for that purpose ?
Alan.
Alan Hewat, ILL Grenoble, FRANCE
site licence for the monopolistic ICSD,
while some laboratories in rich countries apparently allow
single-user PC licences, obtained at reduced cost under the
IUCr agreement, to be used by all.
Alan.
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33) 4.76.20.76.48
(33) 4.76.20.72.13
drawing, profile plotting, bond and angle calculation, links to electronic journals
etc.
(ICSD-for-WWW is also available for Windows 2000/XP, linux, Sun, SGI, HP and IBM-AIX.)
Alan.
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33) 4.76.20.76.48
(33) 4.76.20.72.13 (.26 Mme Guillermet
insist upon.
Alan.
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33)
4.76.20.76.48
(33) 4.76.20.72.13 (.26 Mme Guillermet)
http://www.ill.fr/dif/AlanHewat.htm
___
At 06:54 07/07/2004, you wrote:
Would anyone please send me the wykoff positions of Hopeite, Zn3(PO4)2. [H2O]4.
Just login to http://icsdweb.fiz-karlsruhe.de/ and type Hopeite into the Mineral name
then click Details. You can also draw the structure and powder pattern.
Mg1 (4c)2
Zn1
might
integrate with MySQL while still adhering to confines of the GPL or in
other words, managing to keep your product open source.
But it's almost time for lunch. Alan.
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33)
4.76.20.76.48
(33) 4.76.20.72.13 (.26 Mme Guillermet)
http
, such that both companies profit, as well as
ordinary scientists like you and me (who are mostly paid salaries, just like the
people who work for these companies :-)
Even Armel and I have to pay to eat... which reminds me that it is lunchtime again :-)
Alan.
Alan Hewat, ILL Grenoble, FRANCE [EMAIL
that you can't comment in general on company policies, or that
advertisements are strictly forbidden, but it must be kept at the level of fair
comment.
Hope that helps. Alan.
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33) 4.76.20.76.48
(33) 4.76.20.72.13 (.26 Mme Guillermet) http
...you have no technical tools to prevent us from continuing :-)
Did I say that :-) Alan.
Dr Alan W. Hewat, Diffraction Group Leader.
Institut Laue-Langevin, BP 156X Grenoble FRANCE 38042
fax (33)4.76.20.76.48 tel (33)4.76.20.72.13 (or .26 Mme Guillermet)
[EMAIL PROTECTED]
Structural
Analyses of 1:3 (Lu, In) (O H)3 and 1:3 (Yb, In) (O H)3 (1989) Journal of
the Less-Common Metals 152,
157-163
XRef
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33)
4.76.20.76.48
(33) 4.76.20.72.13 (.26 Mme Guillermet)
http://www.ill.fr/dif/AlanHewat.htm
___
in advance for all your informations and help
Best
JM
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33)
4.76.20.76.48
(33) 4.76.20.72.13 (.26 Mme Guillermet)
http://www.ill.fr/dif/AlanHewat.htm
___
structure of Ba2Fe8O14 with P-3m1
symmetry and c parameter about 9.6 A?
It is mentioned in several papers as 'early published'
The best ICSD does is BaFe4O7 with P63/m and c parameter 13.8A ie
~sqrt(2) times your c-parameter.
Okamoto, S.;Okamoto, S.I.;Ito, T. The crystal structure of barium
I couldn't read the attached file as it appears with strange signs in Notepad.
Sigh. Only a few days ago I advised people NOT to open or send attachments...
Did people receive an attached file that really contained a virus ? If so, I would
like to know, since it should not happen (en principe
...add an option to our crystal
structure drawing program DRAWxtl that would represent magnetic spin
vectors with an arrow.
It might be easiest to follow the way one of the Rietveld programmes
describes magnetic spins eg the original Rietveld code (in Lachlan's WWW
museum I think) only required
Has anyone a pcr file for LaMnO3 structure?
You can find LaMnO3 in the free demo ICSD database on http://icsdweb.fiz-karlsruhe.de/
Just choose Details and then Export the data in FullProf format.
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33) 4.76.20.76.48
(33) 4.76.20.72.13
can do with ICSD. See:
http://cds.dl.ac.uk/cds/help/icsd.html
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33) 4.76.20.76.48
(33) 4.76.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm
___
The SPAM messages pretending to come from Juan actually originate from an ADSL account
in Hungary 136.57-182-adsl-pool.axelero.hu (81.182.57.136)
If they continue we will report this to the ADSL provider in Hungary (AXELERO) who
will be able to identify the culprit. A deliberate attempt to
approaching 1000. Rietveld list archives are on: http://www.mail-archive.com/[EMAIL
PROTECTED]/
Alan.
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33) 4.76.20.76.48
(33) 4.76.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm
___
Database ICSD to bring the total to 76,480 for the 2004/2 update on
http://icsdweb.fiz-karlsruhe.de/ (for registered users).
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33) 4.76.20.76.48
(33) 4.76.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm
___
the Rietveld list. Remember that you can view old messages on the Rietveld list
archive http://www.mail-archive.com/rietveld_l@ill.fr/
Best wishes, Alan Hewat.
Dr Alan W. Hewat, Diffraction Group Leader.
Institut Laue-Langevin, BP 156X Grenoble FRANCE 38042
fax (33)4.76.20.76.48 tel (33)4.76.20.72.13
thing wrong or funny.
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33) 4.76.20.76.48
(33) 4.76.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm
___
for an English title,
using these to construct dissident alternatives doesn't seem quite cricket
:-)
Especially in reply to a very welcome compliment to the Rietveld list. Thanks
Laurie.
Alan.
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33) 4.76.20.76.48
(33) 4.76.20.72.13 (.26 Mme Guillermet
. At least you get an unbiased result if you actually pay ISI for their citation index.
Alan.
BTW, Google.com ranks ILL WWW pages 3rd worldwide, in both Condensed Matter and Crystallography, ahead of IUCr. To see what this means in practice, try a Google search on inorganic structure :-)
Alan Hewat
last I looked :-) The ranking of index
pages doesn't mean a lot - most links are to specific pages of high interest,
not the index.
Alan.
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33) 4.76.20.76.48
(33) 4.76.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm
___
Research Scientist position at the ILL Grenoble
The Institut Laue-Langevin (ILL), situated in Grenoble, France,
is Europe's leading research facility for fundamental research using
neutrons. The ILL operates the brightest neutron source in the world,
reliably delivering intense neutron beams to
Hello Yang,
You may already know that ILL is developing new instrument control
software, in which UB matrix manipulation is an integral part. This
will be operational on some ILL diffractometers this year, and is being
developed in C++ not Java. If you are interested you might contact
Frederik
that email signatures on the Rietveld
list have sometimes been forged. Instead put the file on a server, or if you
can't do that, ask me to do it for you.
Alan.
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33) 4.76.20.76.48
(33) 4.76.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif
0.50 0.50 0.25 0.09
A Al2 0.376600 0.267100 0.00 0.23 0.167000
A Si1 0.376600 0.267100 0.00 0.23 0.833000
A O1 0.488500 0.348900 0.142600 -0.28
A O2 0.23 0.309300 0.00 1.00
Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33) 4.76.20.76.48
for data from high flux synchrotron
sources. Fortunately (?) data storage capacities have grown much faster than
neutron intensities and data volume. There are working groups and conferences
on this subject, so I am copying this to our local expert if you want to follow
it up. Alan.
Dr Alan Hewat
, but no other financial
contribution at this late stage (unless you are a member of one of the 5 ILL
Millennium projects).
Alan.
Dr Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33) 4.76.20.76.48
(33) 4.76.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm
___
can access this on
http://icsdweb.fiz-karlsruhe.de/
or on http://icsd.ill.fr/ The free version contains only a 3,325 structure subset of the full 82,676 structure database.
Alan.
___
Dr Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax
user's to respond to the ILL's invitation
to comment on our proposed future policy, set out on:
http://www.ill.fr/pages/science/review.html
Alan.
___
Dr Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED] fax (33) 4.76.20.76.48
(33
:-)
_
Dr Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm
_
you gave for not using
constraints to fix parameters whose refined values seem wrong. The calculated
errors are only meaningful if you don't use such constraints.
Alan.
_
Dr Alan Hewat, ILL Grenoble, FRANCE[EMAIL PROTECTED]fax
This kind of question is easily answered by http://scholar.google.com/ simply
by entering crystal structure of SUCROSE :-)
Alan.
_
Dr Alan Hewat, ILL Grenoble, FRANCE[EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme
s is on
http://icsd.ill.fr/icsd/help/CIF-help.html
Alan.
_
Dr Alan Hewat, ILL Grenoble,
FRANCE[EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet)
http://www.ill.fr/dif/AlanHewat.htm
_
_
Dr Alan Hewat, ILL Grenoble, FRANCE[EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm
_
structure.
If we were to insist on strict declension rules, we would still be writing
Latin, rather than various flavours (flavors?) of English.
Alan.
_
Dr Alan Hewat, ILL Grenoble, FRANCE[EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13
.
_
Dr Alan Hewat, ILL Grenoble, FRANCE[EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm
_
to individual subscribers. If you want everyone to see your file, put it on an
HTML server, or ask me to do that for you, and then link to it in your email.
Thank you for your understanding. Alan.
_
Dr Alan Hewat, ILL Grenoble, FRANCE
://www.ill.fr/pages/science/IGroups/diff/Soft/fp/index.html
Alan.
_
Dr Alan Hewat, ILL Grenoble, FRANCE[EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm
_
fuer Kristallographie, Kristallgeometrie,
Kristallphysik, Kristallchemie 74, 511-533
_
Dr Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm
_
+intercalated
etc...
_
Dr Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm
_
the structure and then on the Jmol logo and select the
last entry in the first menu item. Also try scholar.google.com.
_
Dr Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr
/Soft/fp/php/tutorials.html
Alan.
_
Dr Alan Hewat, ILL Grenoble, FRANCE[EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm
_
.
_
Dr Alan Hewat, ILL Grenoble, FRANCE[EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm
_
.
_
Dr Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm
_
be answered using Google or other WWW search
engines, even if you don't have access to text books in libraries,
commercial databases etc. For example, the ZnS answer is freely available
on:
http://icsd.ill.fr/icsd/index.php?action="">
would be interested if people had suggestions about how useful this kind of
thing might be, and if they had any suggestions. Alan.
_
Dr Alan Hewat, ILL Grenoble, FRANCE[EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet
Alan Hewat, ILL Grenoble, FRANCE[EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/people/hewat/
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license :-)) Otherwise try Google.
BTW I think martensite NiTi is monoclinic not orthorhombic.
Alan.
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Dr Alan Hewat, ILL Grenoble, FRANCE[EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif
.
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Dr Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/people/hewat/
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The Inorganic Crystal Structure Database (ICSD) has been updated to version
2006-2 with 93,720 structure entries - see:
http://www.fiz-karlsruhe.de/ecid/Internet/en/DB/icsd/
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Dr Alan Hewat, ILL Grenoble, FRANCE[EMAIL PROTECTED]fax
See the attached CIF file.
You have posted a CIF file from ICSD violating the copyright notice in the
file header. I have warned people against doing this several times, so I
am removing you from the Rietveld mailing list.
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Dr Alan
operations etc. that simple format checking will not
find.
Alan.
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Dr Alan Hewat, ILL Grenoble, FRANCE[EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/people/hewat/
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from your input. Drawing the structure is usually the fastest
way of finding errors eg in the space group description, atomic
co-ordinates or lattice dimensions.
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Dr Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED]fax+33.476.20.76.48
and magnetism in synthetic pyrrhotite Fe7S8: a powder
neutron-diffraction study (2004) Phys.Rev., Serie 3.B - Condensed Matter
70, 014415-1-014415-12
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Dr Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13
it. Do not respond, it only
encourages these people.
Alan.
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Dr Alan Hewat, ILL Grenoble, FRANCE[EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/people/hewat/
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simple
function I can think of. Certainly a lot better than a linear d-spacing scale.
And yes, this is not a new idea.
Alan.
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Dr Alan Hewat, ILL Grenoble, FRANCE[EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet
in CIF files and plot
calculated-observed patterns like Jmol now plots structures.
Alan.
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Dr Alan Hewat, ILL Grenoble, FRANCE[EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/people/hewat/
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.
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Dr Alan Hewat, ILL Grenoble, FRANCE[EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/people/hewat/
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At 11:54 22/02/2007, Alan Hewat wrote:
I would like to see a profile plotting package in Java or some other really
portable language that would read in CIF files and plot calculated-observed
patterns like Jmol now plots structures.
At 21:40 22/02/2007, Luca Lutterotti wrote:
But with a little
the download of a demonstration version.
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Dr Alan Hewat, ILL Grenoble, FRANCE [EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/people/hewat/
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as possible but
nothing fancy :-)
Alan.
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Dr Alan Hewat, ILL Grenoble, FRANCE[EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/people/hewat/
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.
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Dr Alan Hewat, ILL Grenoble,
FRANCE[EMAIL PROTECTED]fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet)
http://www.ill.fr/dif/people/hewat/
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