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Number 11 - May 1999
ICSD USER'S GROUP NEWSLETTER
(Inorganic Crystal Structure Database)
edited by
I.David Brown
Brockhouse Institute for Materials Research
McMaster University
Hamilton, Ontario, Canada L8S 4M1
The last newsletter produced a number of responses that need
to be circulated quickly. Hence Newsletter 11 follows closely on Newsletter 10.
The last newsletter contained an error in the title of Prof.
Bergerhoff's paper for the ICSD symposium in Glasgow. The title should be:
From ICSD to SICS: A tool for
analyzing structural relationships.
My apologies to Prof. Bergerhoff.
Because the server on which the ICSD User Group Home Page has
been kept is being closed down in the near future, the Home Page has been moved to a new
server run by CRYSTAL IMPACT. We are grateful to Michael Berndt for providing us with this
service. Try out the new Home Page at:
http://www.crystalimpact.com/icsd/
The following notice has been supplied by Alan Hewat.
What's New with ICSD-for-WWW ?
The site-server version of the Inorganic Crystal Structure Database (ICSD) is now
distributed by FIZ Karlsruhe on CD-ROM together with ILL's WWW interface. A number
of features have been added of special interest for powder diffraction (see http://barns.ill.fr/dif/icsd).
Following suggestions from Lachlan Cranswick, ICSD-for-WWW
data files can now be exported in many formats including CIF, Shel-X, GSAS, FullProf,
PowderCell, CCSL and Lazy Pulverix. This makes it easy to start refining your new
powder data if an isomorphous structure already exists among the almost 50,000 in the
database.
You can also display an indexed profile plot of any of these
structures using ICSD-for-WWW's built-in Lazy Pulverix, or export this profile for display
with your favourite profile plotter. Other new features include the display of ORTEP-like
thermal ellipsoids in interactive 3D (VRML), and the calculation of Brown-Shannon valence
sums.
If you don't have the latest CD from FIZ, the demonstration version of ICSD-for-WWW for
SGI, HP and Sun servers can be downloaded from ftp://ftp.ill.fr/pub/dif/icsd . Otherwise the ICSD-for-WWW
database is available to academic users in several countries:
France: ILL/ESRF Grenoble http://barns.ill.fr/dif/icsd
UK: CDS at Daresbury
http://wserv1.dl.ac.uk/CDS/llicsd.html
UK: CCP14 at Daresbury
http://icsd.ccp14.ac.uk/icsd/
USA NIST Washington
http://rrdjazz.nist.gov/~toby/icsd/
USA Oak Ridge National Laboratory
http://quintus.ssd.ornl.gov/dif/icsd/
Spain: Scientific Res. Council CICS:
http://161.111.20.28/dif/icsd/
Taiwan National Database NCHC
http://saturn.nchc.gov.tw:9091/dif/icsd/
Netherlands CAOS/CAMM
http://www.caos.kun.nl/icsd/
Japan, Nagoya University
http://sigma.numse.nagoya-u.ac.jp/dif/icsd/
++++++++++++++++++++++++++
Alan Hewat, ILL Grenoble, FRANCE <hewat@ill.fr>
tel (33)
4.76.20.72.13
ftp://ftp.ill.fr/pub/dif fax
(33) 4.76.48.39.06
http://www.ill.fr/dif/
1999.5.11
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