>
> 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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