Advertisements on the Rietveld list

2007-02-27 Thread Alan Hewat
re, this link should allow the download of a demonstration version. _____ 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/ _

Re: ICSD Card for H2Ti2O5.xH2O

2007-02-26 Thread Alan Hewat
posit, northern Urals, Russia (2003) American Mineralogist 88, 1331-1335 _ 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/ _

Re: ICSD Card for H2Ti2O5.xH2O

2007-02-26 Thread Alan Hewat
ome-one knows more about these interesting Ti2O5 sheet-structures (other than what is in ICSD :-) ) Alan. _ Dr Alan Hewat, ILL Grenoble, FRANCE<[EMAIL PROTECTED]>fax+33.476.20.76.48 +33.476.20.72.13 (.26 Mme Guillermet)  http://ww

Re: Embedded plots, was Re: Powder Diffraction In Q-Space

2007-02-26 Thread Alan Hewat
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: &g

Re: Search/match applications and licensing

2007-02-22 Thread Alan Hewat
. > > Cora > *** > Dr. Cora Lind > WO 2262 > Department of Chemistry, MS 602 > University of Toledo > Toledo, OH 43606-3390 > *** _ 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/ _

Re: Powder Diffraction In Q-Space: plotting CIFs

2007-02-22 Thread Alan Hewat
reasons that escape me). 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/people/hewat/ _

Re: Powder Diffraction In Q-Space

2007-02-22 Thread Alan Hewat
r really portable language that would read in CIF files and plot calculated-observed patterns like Jmol now plots structures. Alan. _____ Dr Alan Hewat, ILL Grenoble, FRANCE<[EMAIL PROTECTED]>fax+33.476.20.76.48 +33.476.20.72.13 (.26

Re: Refinement of LSMO particles

2007-02-22 Thread Alan Hewat
CR file for LaMnO3 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/people/hewat/ _

Re: Powder Diffraction In Q-Space

2007-02-22 Thread Alan Hewat
ll Rd. >Menlo Park, CA 94025-7015 >(650) 926 4791, (650) 926 4100 - FAX >*** _ 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/ _

RE: Powder Diffraction In Q-Space

2007-02-21 Thread Alan Hewat
tter "constant peak density scale" than any other 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. _____ Dr Alan Hewat, ILL Grenoble, FRANCE<[EMAIL PROT

RE: Powder Diffraction In Q-Space

2007-02-21 Thread Alan Hewat
e :-) 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/people/hewat/ _

Attempts to send fake messages containing viruses to the

2007-02-21 Thread Alan Hewat
. _ 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

Re: Hi!!! How's the mood?

2007-02-15 Thread Alan Hewat
gnore it. Do not respond, it only encourages these people. 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/people/hewat/ _

Spam message pretending to be from me.

2007-02-11 Thread Alan Hewat
/en/ 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/people/hewat/ _

Re: CIF for Pyrrhotite 4C

2007-02-03 Thread Alan Hewat
.S.;Chapon, L.C.;Sanchez, R.D. Structure and magnetism in synthetic pyrrhotite Fe7S8: a powder neutron-diffraction study (2004) Phys.Rev., Serie 3.B - Condensed Matter 70, 014415-1-014415-12 _____ Dr Alan Hewat, ILL Grenoble, FRANCE <[EMAI

Re: occupations and GSAS

2007-01-30 Thread Alan Hewat
obtain the occupancy of each site by each kind of atom. Don't just rely on refining parameters without understanding what they mean. _____ Dr Alan Hewat, ILL Grenoble, FRANCE <[EMAIL PROTECTED]>fax+33.476.20.76.48 +33.476.20.72.13 (.

Re: Thermal Expansion of Platinum.....

2007-01-08 Thread Alan Hewat
termind by X-ray diffraction data. I. Platinum, tantalum, niobium, and molybdenum (1951) Journal of Applied Physics 22, 424-428 _____ Dr Alan Hewat, ILL Grenoble, FRANCE <[EMAIL PROTECTED]>fax+33.476.20.76.48 +33.476.20.72.13 (.26 Mme Guillermet)

RE: Question about GSAS

2006-12-28 Thread Alan Hewat
so use GSAS to draw the structure 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. _____ Dr Alan Hewat, ILL Grenoble, FRANCE

Re: Powder CIF , weights & uncertainties, CheckCIF

2006-11-14 Thread Alan Hewat
for obvious errors in the actual CIF co-ordinates, symmetry operations etc. that simple format checking will not find. 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/people/hewat/ _

Re: MnO2

2006-11-10 Thread Alan Hewat
> 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. _ Dr A

ICSD update to 93,720 structure entries

2006-11-07 Thread Alan Hewat
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/ _ Dr Alan Hewat, ILL Grenoble, FRANCE<[EMAIL PROTECTED]&

Re: RMC @ R.L. McGreevy

2006-11-03 Thread Alan Hewat
enoble. _____ 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/ _

Re: Orthorombic (martensite) NiTi ICSD Card

2006-10-25 Thread Alan Hewat
ICSD access license :-)) Otherwise try Google. BTW I think martensite NiTi is monoclinic not orthorhombic. Alan. _____ Dr Alan Hewat, ILL Grenoble, FRANCE<[EMAIL PROTECTED]>fax+33.476.20.76.48 +33.476.20.72.13 (.26 Mme Guillermet) http

Re: Multiple Email addresses

2006-10-25 Thread Alan Hewat
TED]> Your Name _____ 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/ _

Displaying cavities in framework structures

2006-10-12 Thread Alan Hewat
(depending on your computer). I 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.

Please stop posting large attachments

2006-10-07 Thread Alan Hewat
this person from the Rietveld list. He may resubscribe tomorrow if he accepts not to do this kind of thing. _____ 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/ _

Re: The Rietveld Method

2006-10-07 Thread Alan Hewat
ples and tutorials on http://www.ill.fr/dif/Soft/fp/php/tutorials.html where you can also download the software and try for yourself. Alan. Actually http://www.amazon.com.cn/ also exists, but they don't have the book. _____ Dr Alan H

RE: request

2006-10-06 Thread Alan Hewat
ave problems. 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/people/hewat/ _

Re: request

2006-10-05 Thread Alan Hewat
___ 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/ _

Re: Question

2006-09-27 Thread Alan Hewat
is equal to > the sum of the terms transformed individually, so the G(r) for a > mixture is the weighted sum of G(r) for the components. _ Dr Alan Hewat, ILL Grenoble, FRANCE <[EMAIL PROTECTED]>fax+33.476.20.76.48 +33.476.20

Re: CIF file for hydroxyapatite

2006-09-26 Thread Alan Hewat
h&mineral=hydroxyapatite Click "Demo" on the login box, select the structure, click on details and then "CIF export". Or click on Jmol to draw the structure and then on the Jmol logo to list the CIF. Alan. _____ Dr Alan H

Re: 3D plotting of local CIF and SHELX files in ICSD

2006-08-23 Thread Alan Hewat
lan. _ 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 _

3D plotting of local CIF and SHELX files in ICSD

2006-08-23 Thread Alan Hewat
. _ 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 _

Re: related to pcr file of SrMnO3 - new user

2006-07-17 Thread Alan Hewat
Groups/diff/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 _

Re: CIF of ZrSe2

2006-07-16 Thread Alan Hewat
ents=cd+i2 Since both atoms are in special positions, just replace Cd by Zr and I by Se. Should be sufficient for your purposes. (You could also find the exact lattice constant if you need it with google or a text book). _____ Dr Alan Hewat, I

Re: To ask for CIF file for hydroxyapatite

2006-07-15 Thread Alan Hewat
o draw 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

Re: atomic positions of FeCl3,

2006-07-12 Thread Alan Hewat
holar?q=fecl3+graphite+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 _

Re: Fe3N P312 space group 149 space gfroup number

2006-07-12 Thread Alan Hewat
FeB". (1930) Zeitschrift 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 _

Re: Full proof

2006-07-12 Thread Alan Hewat
http://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 _

Automatic responses to the Rietveld list are forbidden

2006-07-12 Thread Alan Hewat
the list. Send files only 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,

Re: Jmol

2006-07-11 Thread Alan Hewat
will see if I can implement that. 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 _

Re: Jmol and automatic drawing of co-ordination polyhedrae

2006-07-11 Thread Alan Hewat
onstruct all types of polyhedra in an arbitrary 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 Grenob

Re: Rif: Re: Jmol and automatic drawing of co-ordination

2006-07-10 Thread Alan Hewat
s than 10.3.1 _ 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 _

Jmol and automatic drawing of co-ordination polyhedrae

2006-07-10 Thread Alan Hewat
Jmol links 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 _

Re: crystal structure of SUCROSE

2006-07-04 Thread Alan Hewat
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 +33.476.2

Re: Uiso constraints

2006-07-03 Thread Alan Hewat
r-estimated, so you won't even know it :-) 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 _

Re: Uiso constraints

2006-07-03 Thread Alan Hewat
ul for the good reasons 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 Gre

RE: Structure of Potassium chloride

2006-06-22 Thread Alan Hewat
determinations of KCl :-) _____ 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 _

Re: Structure of Potassium chloride

2006-06-22 Thread Alan Hewat
> Can some one tell me the crystal structure of Potassium Chloride. You could also try typing "Potassium Chloride" into Google Images. You don't always need specialist databases to find common information. Alan. _____

Re: Structure of Potassium chloride

2006-06-22 Thread Alan Hewat
orm of KCl. 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 _

Re: Access to ICSD database.

2006-06-21 Thread Alan Hewat
a license for the full database by emailing Ms Silke Rehme at FIZ Karlsruhe. Then you can either use the full database on the FIZ server, or install it on your own server or PC. Alan. _ Dr Alan Hewat, ILL Grenoble, FRANCE<[EMAIL PROTEC

Re: XPRESS access mechanism

2005-07-05 Thread Alan Hewat
re that he would encourage ILL 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 <[E

Re: Crystallographic database

2005-07-04 Thread Alan Hewat
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]&g

Re: Registration Deadline for EPSRC-ILL Grenoble Spring

2005-05-13 Thread Alan Hewat
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 ___

Relative occupancies of Al and Si

2005-05-10 Thread Alan Hewat
) of Al (3.449) and Si (4.151) are quite different, so it is easier to determine the relative occupancies of specific sites in aluminosilicates with neutrons - see: http://www.ncnr.nist.gov/resources/n-lengths/ Alan. Dr Alan Hewat, ILL Grenoble, FRANCE <[EMAIL PROTECTED]> fax (3

Re: Laboratory Information Management Systems (LIMS)

2005-04-25 Thread Alan Hewat
not possible 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. Al

Registration Deadline for EPSRC-ILL Grenoble Spring Conference

2005-04-20 Thread Alan Hewat
from the UK. Looking forward to a sunny spring in the French Alps, Alan Hewat (local committee) 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 ___

Re: AtomCoord

2005-02-14 Thread Alan Hewat
0.666700 0.25 0.00 A Al1    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

Re: Rwp versus R(F^2)

2005-01-24 Thread Alan Hewat
improve Rwp from 7.7% to 7.6% in almost doubling the number of parameters by removing the center of symmetry, then you should not do that. Structures have to be physically and chemically "reasonable", not just have the lowest R-factors :-) Alan. Alan Hewat, ILL Grenoble, FRANCE

PLEASE. Do not attach files to Rietveld postings (virus risk)

2005-01-19 Thread Alan Hewat
us, and remember 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 Gu

Re: Java code for UB matrix

2005-01-18 Thread Alan Hewat
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

26-28 May 2005 Conference on EPSRC-ILL Millennium Projects

2005-01-03 Thread Alan Hewat
and a modern WWW browser :-) Bonne Année ! Alan Hewat. The UK Engineering and Physical Sciences Research Council EPSRC have recently provided a number of large grants to UK University teams for the improvement of public instruments on the ILL's High Flux European Neutron Source in Grenobl

Research Scientist position at the ILL Grenoble

2004-12-10 Thread Alan Hewat
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 4

Re: Google Scholar

2004-11-26 Thread Alan Hewat
place since 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 ___

Re: Google Scholar

2004-11-26 Thread Alan Hewat
ertisements. 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 :

RE: Unexpected honour

2004-11-19 Thread Alan Hewat
ense. Just as I thought, it is a question of religion. I can't argue with that. 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 ___

RE: Unexpected honour

2004-11-19 Thread Alan Hewat
>I have no other choice but to use ICSD if I pretend to be >an expert/wizard (=adept ??) in inorganic chemistry. Armel, that is the nicest compliment I have ever heard about ICSD. Sincerely, Thanks ! Alan xxx Alan Hewat, ILL Grenoble, FRANCE <[EMAIL PROTECTED]> fax (33) 4.76.

RE: Unexpected honour

2004-11-19 Thread Alan Hewat
ot;... Adept: [n] someone who is dazzlingly skilled in any field Synonyms: ace, expert, genius, hotshot... virtuoso, wizard 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 ___

RE: Unexpected honour

2004-11-19 Thread Alan Hewat
if your are trying 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 PROTE

Re: Unexpected honour

2004-11-18 Thread Alan Hewat
ere some 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 ___

Cleaning up obsolete Rietveld_L email addresses

2004-11-15 Thread Alan Hewat
sages from 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 (3

Re: ICSD updated to 76,480 entries

2004-11-02 Thread Alan Hewat
ure >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 ___

ICSD updated to 76,480 entries

2004-10-26 Thread Alan Hewat
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 ___

Problems with getting the structure right for Rietveld

2004-10-15 Thread Alan Hewat
structure and calculate the interatomic bond lengths ! You should immediately pick up most errors. Some Rietveld programs will even draw the structure for you, but you can also do it within ICSD even if the structure that you want is not in the database - see: http://icsd.ill.fr/ Alan. Al

Spam messages pretending to come from Juan

2004-08-31 Thread Alan Hewat
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 send

Re: PDF refinement review article

2004-08-19 Thread Alan Hewat
 S. J. L. Billinge and M. G. Kanatzidis, Beyond crystallography: the study of disorder nanocrystallinity and crystallographically challenged materials, Chem. Commun. , 749-760 (2004). Simon sent me a copy, but others can get it on-line here: [Full Text PDF] (1099 K)  Alan. Alan Hewat, ILL

Re: Rietveld refinement and PDF refinement ?

2004-08-19 Thread Alan Hewat
hrow away the non-Bragg peak data, where-as with PDF all scattering is included. He quoted an example where PDF shows a split peak in Ga(1-x)In(x)As for Ga-As and In-As distances, where Rietveld refinement always gives the average (Ga,In)As structure. Alan. Alan Hewat, ILL Grenoble, FRANCE

Rietveld refinement and PDF refinement ?

2004-08-19 Thread Alan Hewat
included in the model). But if you refine the full data with the same model, can there really be any fundamental difference, if in one case you simply do a Fourier transform to real space ? What am I missing here ? Alan. Alan Hewat, ILL Grenoble, FRANCE  <[EMAIL PROTECTED]> fax (33) 4.76.20

Daresbury WWW "Flash" movie of ICSD

2004-08-13 Thread Alan Hewat
most of the things you 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 ___

Re: Form factors for Ni4+ and Co4+

2004-08-13 Thread Alan Hewat
other databases. Try: http://cds.dl.ac.uk/cds/datasets/crys/icsd/llicsd.html You will need to register to obtain access. 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 ___

Re: LaMnO3

2004-08-09 Thread Alan Hewat
>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]&g

Re: Question on Magnetic Structure Representation

2004-07-27 Thread Alan Hewat
...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 t

Re: Returned mail: see transcript for details

2004-07-27 Thread Alan Hewat
>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

Re: Ba2 Fe8 O14 structure

2004-07-26 Thread Alan Hewat
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 difer

Right asymmetry

2004-07-23 Thread Alan Hewat
anks a lot 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 ___

Re: Atomic Coordinates of LuInO3

2004-07-23 Thread Alan Hewat
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 ___

SPAM on Rietveld list under my name

2004-07-21 Thread Alan Hewat
Sorry for the several SPAM messages on the Rietveld list in the last 24 hours under my name. Of course, this is just some-one impersonating me (as if that were possible :-) We will block this in future for messages from ILL, and if this continues we may need to block all attachments to the Riet

Re: solving the structure...

2004-07-09 Thread Alan Hewat
way, and probably find the solution more quickly, than simply applying computer programs. The people who advocate doing this are not exactly beginners. 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 ___

Re: Responsibility for the content of the Rietveld mailing list

2004-07-09 Thread Alan Hewat
>...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]> http://www.ill.f

Responsibility for the content of the Rietveld mailing list

2004-07-09 Thread Alan Hewat
nsaction. This does not mean 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)

Re: Next Endeavour version without Hofmann potential

2004-07-08 Thread Alan Hewat
>I would really like to hear the other party, which is why I tried to list a >few possibilities under which the ccdc position would be understandable. OK, I have contacted the CCDC for a statement, and they tell me that this is an issue that is being discussed between the interested parties, th

Re: Next Endeavour version without Hofmann potential

2004-07-08 Thread Alan Hewat
the database for a mutually agreed fee, 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 :-)

Re: Next Endeavour version without Hofmann potential

2004-07-08 Thread Alan Hewat
>"Stellar example", wow. Well. an American wrote that :-) You and I would be more modest Armel :-) >...such debates are mute and go nowhere; Hmm. That's a moot point, but let's meet half way; I agree that in such debates it may be better to remain mute. Alan.

Re: Next Endeavour version without Hofmann potential

2004-07-07 Thread Alan Hewat
perating model... is a stellar example of how one 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 (3

Re: Wykoff positions of Hopeite

2004-07-07 Thread Alan Hewat
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

Re: Next Endeavour version without Hofmann potential

2004-07-06 Thread Alan Hewat
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 ___

HOPG Pyrolytic Graphite neutron filters ?

2004-06-15 Thread Alan Hewat
I know the early references (Loopstra et al) to pryolytic graphite as a filter for 2.6A neutrons, but want to filter higher energies of ~3A eg. by reflecting just the specific 1.5A and 1A harmonics using highly oriented PG like a secondary monochromator-filter as was tried at ILL on IN14. Does so

ICSD now available for Mac OSX-10.3 (Panther)

2004-06-14 Thread Alan Hewat
cture 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

ICSD, Topaz and CIF-files

2004-06-07 Thread Alan Hewat
>Topas will import CIF files, but the ICSD doesn't always >export CIF files in the same format as Topas is expecting. Is the problem with Topaz or with ICSD ? I would be interested in fixing examples of incorrect CIF files exported by http://icsd.ill.fr/ Alan. Alan Hewat, ILL Greno

Re: XRDU:RIET: Updated Bond Valence Wizard for Windows website

2004-04-19 Thread Alan Hewat
e=795&year=1954 But thanks for the pointer to the Bond Valence Wizard. It looks great ! 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 ___

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