I am submitting
my results for part I of the SMRR.  S/M was done using Jade 5 plus and
ICDD-pdf (2000).  Please find attached a zip with my name.  I apologize in
advance for the lower resolution pictures in the ZIP file but the search was
done offsite on a laptop with 800X600 max resolution.
It is saturday June 15 noontime, i.e. 6h00pm your time. Hopefully I will
make it!  I am anxiously awaiting the chemistry part of the SMRR.  Thank you
for this good initiative.


Here are some notes on the search/match of the four patterns:
Comments on Search/Match:


Pattern 1
Siderite was the first found pattern along with fluorapatite.  Better
matches were obtained with patterns from ICSD pattern subfile than
Inorganics subfile.
Got initially better FOM on S/M with Cu(OH)2!H2O. Software tried to match
peak @ 13.32 degrees. Overall fit for this phase was not so good.
Got the remaining matches by zooming in on main residual peaks.  Quartz was
the first match followed by Gormanite (zoom on peak @ 13.32 degrees).  The
previously mentioned copper phase was no longer in the S/M list.  Gormanite
is the less well assigned phase of the S/M for this sample but a quick look
at the chemistry of the other phases and taking into account that this is a
geochemical sample, the chemistry and assignment looks OK.  


Pattern 2
No close match in the PDF for this XRD pattern.  S/M did however come up
with "octadecasil" (48-0475) which is very close to this pattern.  I suspect
that this is a similar compound with a slight chemical variation on the
formula of this chemical.  I did a quick peak profile of all the peaks
(including some weak ones) and was able to index the pattern to an hexagonal
cell (similar to octadecasil) and refined the cell parameters.  Here is an
excerpt of the report below:


Cell Refinement Report
[smrr-2.raw] SMRR-2
Cell Type = Tetragonal(I-Center), I41/a (88) (origin at -4)
Refined Cell = 9.08367(2), 13.4606(7)


The cell parameters are indeed close to those of octadecasil.  I did not
have the International tables at hand to check the systematic absence
conditions for the space group I41/a (88) above, but this would not change
the refined cell parameters.


Pattern 3
This is the hardest pattern of the four in the round robin.  It is typical
of organic substances not to have diffraction at high angles.  To add to the
complexity of this test, the sample seems to suffer from potential preferred
orientation. Thalidomide is a fairly reliable match but after this first
assignment, the others are more difficult to assign.  There is a 0.15 degree
difference between the measured pattern and the PDF data.  I decided to
combine organics and pharmaceutical subfiles to come with the other
potential compounds in this pattern.  Thalidomide, Antabuse and Sulfadiazine
gave reasonable matches in 10-20 degrees region.
I do not think that having chemistry for this pattern will help a lot unless
there are unsuspected elements like boron or sulphur (or ?)  in addition to
CHNO.


Pattern 4
The hit on litharge was the first hit.  Again better match was obtained from
the ICSD pattern subfile.  Obtained the other two matches by zooming in on
the peaks in the 10 degrees region.  Since this is a sample coming from an
industrial process, the fact that Pb is common to the three phases seems to
make sense.