Subject: CCL:Inorganic crystal structures SUMMARY

From: Mike Kotelyanskii <[email-masked]>
Date: Wed, 12 Nov 1997 11:05:50 -0500 (EST)

A while ago I posted a request about the possible source of the
inorganic crystal structure data
Thanks to everybody who replied.
Sorry, it took a while to put together a summary, here is my original 
posting and replies.
Unfortunately I cannot comment on the on-line resources, as most
of those sources are not free and I did not have an access to them.
I found what I needed in Wyckoff's handbook in our library, 
thanks to Michael S Sennett.

Original message:
Is anybody aware of the database, or other source of the crystal
structures (lattice symmetry groups, lattice parameters, moduli??)
of the inorganic compounds like SiC, aluminium, zinc and other oxides,
particularly, III-V groups elements and compounds,
Thank you
Michael

------> Replies:
A few references are as follows:

W.B. Pearson, The Crystal Chemistry and Physics of Metals and Alloys,
(Wiley-Interscience, New York, 1972).

P. Villars and L.D. Calvert, Pearson's Handbook of Crystallographic
Data for Intermetallic Phases, 2nd Edition (ASM International,
Materials Park, Ohio, 1991).

R.W.G. Wyckoff, Crystal Structures, Vol. 1 (John Wiley & Sons, New
York, London, 1963).  (Other volumes and later editions have been
published).

Thomas A. Adler
Albany Research Center, Department of Energy
1450 Queen Avenue, SW
Albany OR 97321-2198
E-mail:  [email-masked]
(541) 967-5853

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From: [email-masked] (Michael S Sennett)
See Wyckoff's "Crystal Structures" in your library.

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Mike,

There is a company "Scientific Information Services, Inc." which has
something called the
Inorganic Crystal Structure Database (ICSD).

The number is 914-834-8864 & the contact person I have down is Patricia 
Guenkel.

I have no connection with the company, and have not ordered the program
yet, but the literature I have suggests that the ICSD might be what you are
looking for.

Hope this helps.

Tom Cundari

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Tom Cundari                                           Department of Chemistry
Associate Professor                                The University of Memphis
e-mail:[email-masked]           Memphis, TN 38152-6060
phone: 901-678-2629
FAX: 901-678-3447
http://www.chem.memphis.edu/umchem.html

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From: [email-masked]
Have you tried QUEST available from the Cambridge Structural Database

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Mike:

While not very modern, the best compendium of these crystal
structures that I know of is the series of annual books called
"Structure Reports". This is a summary of X-ray and neutron
diffraction studies.  As far as I know, this information is not in
any electronic database, so brute-force searching through these books
has often been my most fruitful technique.

I would appreciate hearing about other, more searchable, databases
that you might learn about.

Best wishes,

Brian J. Teppen                                      [email-masked]
Advanced Analytical Center for Environmental Sciences
Savannah River Ecology Laboratory
University of Georgia
Drawer E
Aiken, SC 29802

phone:803-725-8157                    fax:803-725-3309

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From: "Cathy Thompson" <[email-masked]>
The "Inorganic Crystal Structure Database" (ICSD) is a very good source of
information. It is released in CD format by the Gmelin institute and
the Fachinformationszentrum Karlsruhe and contains crystal structure
information and bibliographic data. I hope this helps.

Greetings

Catharine Thompson

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Dear Mike:
The site has altered a bit since I last looked at it.  Just go to the
the host URL: http:/www.fiz-karlsruhe.de/
and look under CD-ROM products.  You will find a couple of links to
ICSD there.

Leslie ==============================================================
(Prof.) Leslie Glasser                     Dept. of Chemistry
E-mail: [email-masked]      Univ. of Witwatersrand
Tel: Intl + 27 11 716-2070                 P. O. WITS 2050
Fax: Intl + 27 11 339-7967                 South Africa
Home Pages:  University      http://sunsite.wits.ac.za
             Chemistry       http://www.chem.wits.ac.za
======================================================================

-------------------------------------------------------------------------------
Michael J. Kotelyanskii	                     Phone (814) 863 43 81
Polymer Science Program			     FAX   (814) 865 29 17
Department of Materials Science and
Engineering                                  [email-masked]
Pennsylvania State University                http://www.plmsc.psu.edu/~kotelyan
University Park, PA 16802, USA
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