Re: Nonstandard space groups with Rietan

Benyam Estifanos ( Benyam.Estifanos@geol.lu.se )
Tue, 18 Mar 1997 16:15:18 +0100

>Dear all,
>
>Can anyone who has had experience using Rietan tell me where and how one
>enters additional general equivalent positions if LSPSYM=1 (for example, to
>specify a nonstandard space group like C-1 by adding symmetry restrictions
>to P-1)? The instruction manual doesn't seem to address that point.
>
>Thanks in advance.
>

Dear Dana:

According to my experiance and information ( which I got from Prof. Izumi),
RIETAN doesn't deal with unconventional settings.
I wanted also to refine a plagioclase in C-1. It didn't work.

Even if you edit space group files, RIETAN itself do not deal with the new
setting. Please use the original setting and convert the resulting crystal
data after Rietveld refinement.

Regards,

B.E.

Benyam Estifanos
Dept. of Mineralogy & Petrology
University of Lund
Soelvegatan 13
S-223 62 Lund, Sweden
INTERNET: estif@gemini.ldc.lu.se / Benyam.Estifanos@Geol.lu.se
Tel.:+46 46 2224597; Fax:+46 46 121477