[Wien] Partial Occupancy/Origin Shift

[Travis Sefzik]

Xavier,

Thanks again for the help.

The problem stems from a paper by Jurgen Glinnemann in '92 (Z 
KRISTALLOGR 198 (3-4): 177-212 1992).  He had reported structures of 
high pressure GeO2 (however using spc.gr. 152 and origin shift of 1/3c 
contrary to what Sowa (Z KRISTALLOGR 184: 257-268 1988)had done 
previously).  I was really hoping to use these structures but have 
never taken the time to work through the math within crystallography.

I have a plan that will hopefully keep me from further investigating 
the intricacies of crystallography ... but it would be great to plug 
Glinnemann's numbers into WIEN directly.


-Travis


---
Travis Sefzik
Grandinetti Group
Chemistry Department
The Ohio State University
100 W. 18th Ave.
Columbus, OH 43210

phone: (614) 292-8064
fax: (614) 292-0559
email: tsefzik at chemistry.ohio-state.edu
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