Re: [sdpd] powder diffraction data not in crystal structure databases

[Robin Shirley <R.Shirley...@surrey.ac.uk>]

Dear Namsoo and others

This cell certainly looks very promising - it's probably at least a 
correct derivative cell and may be the actual physical cell itself.

My advice would be to run it through Chekcell (see the CCP14 website for 
a download) to confirm that no simpler subcell (or sub-group) exists that 
also provides as good a fit to the observed pattern.

Robin Shirley

On 18 Nov 2004 at 3:42, Namsoo Shin wrote:

Dear all,

I am working with Strontium Phosphates.
Recently, I got a synchrotron data which couldn't be indexed with any 
unit
cells in PDF-2 DB, ICSD and papers about Strontium Phosphates I tried
indexing programs and got a somewhat big unit cell parameters - (
I4cm(No.108), a=9.7846, c=19.015) matching was perfect. differences less
than 0.002 2theta degree. and by DICVOL M( 30) =  154.3 , F( 30) =  308.3
by TREO M( 30)= 145,  F 30 = 277 And the HKLs in output file of indexing
program indicates the unit cell can't be reduced.

I wonder whether I can conclude that this is a new structure?
I would be very grateful if anyone could give me some information.

============================================================
- Namsoo Shin  sns...@postech.ac.kr
============================================================

[Non-text portions of this message have been removed]



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