Dear All,
For more information about the PDF-4+, feel free to visit the following
page: http://www.icdd.com/products/pdf4.htm
Kind Regards,
Miguel Delgado
On 6/14/2016 4:16 AM, Matteo Leoni wrote:
dear everybody,
I think there is some misconception here.
It is true that the PDF-4+ is a commercial database: this means that
sharing the information taken from the database (as recently done
here) is an explicit violation of copyrights of ICDD and the violator
might be legally prosecuted. When you use the database you save the
time needed to look through the literature for the same information,
paying the rights to the original owner and checking for errors in
transcription and, sometimes, interpretation. That's why (at least)
you pay for it.
However, please update your records. The PDF-4+ is not the PDF-2. The
PDF-4+ is a materials database that contains the "old" PDF-2
information, but it contains also structural data for a large quantity
of compounds as well as properties and experimental patterns for
several compounds. It contains also most of the ICSD coordinates that
have been however thoroughly checked in house, quality marked, cross
referenced and corrected when needed.
So if the material is inorganic and the structure is not in PDF-4+, it
usually means the structure is either very doubtful, too new or not
yet extracted from the literature.
In this particular case, as the chemistry and the space group are
known, it is also likely that the compounds are isostructural to
others already described in the literature
Just notice that there are free alternatives to the commercial
databases (e.g. COD, RRUFF) that in some cases can provide useful
information, but in all cases the copyright warning exists
Matteo (Chair of the BoD of the ICDD)
-----------------------------------------------------------------
Prof. Matteo Leoni, PhD
DICAM - University of Trento
via Mesiano, 77
38123 Trento - Italy
Tel +39 0461 282416 Fax +39 0461 282672
e-mail: matteo.le...@unitn.it <mailto:matteo.le...@unitn.it>
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2016-06-14 9:04 GMT+02:00 Alan Hewat <alan.he...@neutronoptics.com
<mailto:alan.he...@neutronoptics.com>>:
maybe they are in PDF4.
PDF4 is a commercial database of d-spacings and unit cells derived
from them. It does not normally contain atomic positions, and not
all structures in PDF4 have been determined. ICSD does contain
atomic positions if they have been determined.
Both PDF4 and ICSD are copyright and must not be posted to this
mailing list. As well, there is an explicit warning not to attach
files to the mailing list. Anyone who does so risks exclusion.
There are other free databases that may contain the information
you require, but I doubt it. Try using Google Scholar to first
determine if the structures have been published. If not, you will
have to determine them yourself. It is not so difficult if you
have good data and know the space group and lattice dimensions.
Alan
______________________________________________
* Dr Alan Hewat, NeutronOptics, Grenoble, FRANCE *
<alan.he...@neutronoptics.com> +33.476.98.41.68
http://www.NeutronOptics.com/hewat
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