[sdpd] Query

[Armel Le Bail <armel...@fluo.univ-lemans.fr>]

That mailing list is quite silent those days...

Maybe I am wasting a lot of time (which you can
define as a period in which you are searching but
not finding) again due to incompleteness of ICDD
PDF-2.

Here is the problem. The compound contains very
probably C,H,N,O,P +F? and the powder pattern bears
some similitudes with the 18-1791 JCPDS card
(phenyl diamidophosphonate) because of a series
of strong harmonics starting at d=15.31 A (anyway
unindexed). But it is not exactly that compound because
the PDF-2 card gives d=15.50 and the other lines
do not match.

It is not phenyl phosphorodiamidate C6H9N2O2P
of which the structure was determined, Pbca, 
a=7.992, b=34.02, c=5.97, though 34 is not so
different from 2x15.3. And, if one replaces NH2 by F
somewhere....

Not easy to index although a lot of cells present
FoM >30 - this is the classical problematic case
with one very long cell parameter and the others
quite short (first d = 4.68 and 4.46 A after 3 harmonics
of the long parameter-related family of reflections).
So, it is not easy to locate in the CSD, in which it may
be already - and that is why CSD calculated patterns
will be welcome in ICDD...

There could be someone here able to say : "hey,
this is very probably XXX, and the reference is..."

Thanks in advance.

Armel

PS- if not, I will pursue the quest, anyway.