Zitat von Whitfield, Pamela [EMAIL PROTECTED]:
Afternoon all
After spending over 2 days making up a single file, I'd like to hear
some other opinions on the practical aspects of CIF files for
structures from powder data. This is partly a moan from trying to
get a 11000 line file to pass
Dear Rietvelder's,
Some of you may want to set up an automatic out-of-office reply to emails
during your summer absence, or else send other types of automatic anti-SPAM
validation requests. Please note that automatic responses cause problems with
mailing lists, and email addresses that
Although it would be nice sometimes to have a full proof or the program to be
foolproof, the actual name is FullProf... http://www.ccp14.ac.uk//index.html
Holger, Unfortunately CCP14 is not entirely Fool Proof. Since Juan has now
moved to ILL the most up-to-date site for FullProf is:
Vincent and co
Unfortunately I don't yet have the software to do a real VCT data-collection
(not sure many people do, hence 'VCT-type'). Until I can do it properly, the
best I can do is chop the pattern up into pieces with different count-times
(and sometimes step-size at high angles), and
Pam, as the author of the INP format it was not my intention to make your
life difficult.
Maybe I am wrong but is it the case that we are now supposed to write into
CIF more than just primary/raw data. This to me is not what was originally
meant for CIF; non-primary data such as logical
The next file I have to make is from a Topas analysis as well. I'm not
sure any other program could handle the constraints I constructed for
that one (how's that for being controvertial?!).
It might be very useful for any future reader of your cif file if you can
paste the topas inp file in
Hello all,
Can anybody help me for the position of the atoms in the lattice for Fe3N
phase : P312 space group or 149 space group number ?
I found the informations in ASM handbook for the other phase P63/mmc but I
cannot find P312.
Thanks in advance.
Stéphane Ruggeri, Ph.D.
Stagiaire
Can anybody help me for the position of the atoms in the lattice for Fe3N
phase : P312 space group or 149 space group number ?
Siderazot Fe3N is in the free demo database on http://icsd.ill.fr/
Hendricks, S.B.;Kosting, P.R. The crystal structure of Fe2P, Fe2N, Fe3N
and FeB. (1930) Zeitschrift
Dear all,
I'm studying graphite intercalation compounds structures and
particularly intercalated with AlCl3 and FeCl3.
Can anybody help me to find .cif files or other files concerning atomic
positions of pristine AlCl3 and FeCl3 and graphite intercaltion compound
with FeCl3?
Thanks.
--
Can anybody help me to find .cif files or other files concerning atomic
positions of pristine AlCl3 and FeCl3 and graphite intercaltion compound
with FeCl3?
For a start:
http://icsd.ill.fr/icsd/index.php?action=Searchelements=Fe1+Cl3
and then:
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