Title: Re: alpha-Na2Ca4(PO4)2SiO4
Dear all,
 
what kind of search/match software do you use?
 
Thanks
 
 


From: Armel Le Bail [mailto:[EMAIL PROTECTED]
Sent: Wed 09/03/2005 12:53
To: rietveld_l@ill.fr
Subject: Re: alpha-Na2Ca4(PO4)2SiO4


>does anyone knows the atomic positions for
>PDF No. 33-1229  alpha-Na2Ca4(PO4)2SiO4    Space-group P-3m1
>or where I can find it?
>I coudn't find in the ICSD database 2/2004.

Producing a calculated powder pattern from 33-1229
and using a search/match software suggests that this
compound is highly related to the mineral Nagelschmidtite
(03-9796), itself of "unknown" structure, and to Ca2SiO4
(86-0401), well known... The fit on the figure is obtained
after some cell parameters tuning :
              http://sdpd.univ-lemans.fr/33-1229.jpg

The ICDD-JCPDS PDF is a mine for solving structures said
to be unknown in the PDF ;-). A pity that the guys at
the ICDD-JCPDS do not check their own data against their
own data ;;;-).

Best wishes,

Armel





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