[Wien] Cif2Struct again

[William Lafargue-dit-Hauret]

Dear Sherif,

Just open your cif file using a Notepad or a terminal, and you will see 
more than one cell parameters and/or atomic coordinates are present, as 
Xavier said.

You can modify it by hand, but I recommend you to use a crystallographic 
software to generate it safely (Endavour for example).

Cheers,

William


Le 27/05/2018 à 22:49, Sherif Yehia a écrit :
> Dear users  and expert
>
>  I put question before on how to change cif to struct files   I got 
> kindly  help  on changing cif to struct from
>
> Xavier Rocquefelte 
> <https://www.mail-archive.com/search?l=wien@zeus.theochem.tuwien.ac.at&q=from:%22Xavier+Rocquefelte%22> 
> Tue, 06 Mar 2018 
> <https://www.mail-archive.com/search?l=wien@zeus.theochem.tuwien.ac.at&q=date:20180306> 
>
>
> Your cif file contains 3 settings explaining why cif2struct cannot work.
>
> unfortunately  I didn't   understand   what he did to change it to one 
> setting   (my mistake)
>
>
> I am attaching another one for YFe3
>
>  Can I get some help with explanation on how to change .cif to struct  
> to work right
>
> Thank you in advance
>
>
>
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-- 
William LAFARGUE-DIT-HAURET
PhD Student
--------------------------------------------------
Institut des Sciences Chimiques de Rennes UMR 6226
Equipe Chimie Théorique Inorganique
Université de Rennes 1 - Campus de Beaulieu
35042 Rennes, France
Building 10B, Desk 211
Phone: +33 (0)2.23.23.57.91
Email: william.lafargue-dit-hauret at univ-rennes1.fr

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