>look at possible modifications in the pattern due to slight change in
ion
>positions, but I did not succeed because the program does not accept
the
>2- state for the oxygen!
>Does anyone know about this strange feature? Any hint?
Even the International Tables for Crystallography do not give the
oxygen 2- state... Probably some influent guy who does not believe to
ionized compounds ? Anyway, people generally use the parametrized
values :<fontfamily><param>Courier New</param><smaller> 4.758 7.831
3.637 30.05 0. 0. 0. 0. 1.594
</smaller></fontfamily>taken from : T. Suzuki, <italic>Acta
Cryst</italic>. <bold>13</bold> (1960) 279.
A question now for phosphates. International Tables have only
neutral P X-ray scattering factors. So, what is the recommendation
for a compound like Li6P6O18 ? Li+, P and O2- or all neutral
atoms ?-).
Armel
PS : Matteo, the http://bragg.ing.unitn.it/sizestrain/ page announced
in the CPD Newsletter 20 is still empty...
Armel Le Bail - Université du Maine, Laboratoire des Fluorures,
CNRS ESA 6010, Av. O. Messiaen, 72085 Le Mans Cedex 9, France
http://fluo.univ-lemans.fr:8001/
http://www.cybercable.tm.fr/~cristal/
Tel: (33) 02 43 83 33 47
</x-rich>