Converting rhombohedral cell to hexagonal cell

[Mika R.]

Hello everyone, 
I just downloaded VESTA to create a high-resolution image of the Bi2Se3 Crystal Structure. In order to show its layered structure it is most convenient to present it as a hexagonal cell. My problem is that I only have the rhombohedral unit cell as a cif file (see attached) and don't know how to convert it into a hexagonal shape. Maybe someone could help me. I basically want ot recreate the atached image in higher resolution so that you get an idea of what my plan is. Thanks in advance!

Mika

[Koichi Momma]

From the Edit menu -> Unit Cell, just select the space group R1.
Cheers,

Koichi

Mika R. wrote on 2021/09/01 17:50:

Hello everyone, 
I just downloaded VESTA to create a high-resolution image of the Bi2Se3 Crystal Structure. In order to show its layered structure it is most convenient to present it as a hexagonal cell. My problem is that I only have the rhombohedral unit cell as a cif file (see attached) and don't know how to convert it into a hexagonal shape. Maybe someone could help me. I basically want ot recreate the atached image in higher resolution so that you get an idea of what my plan is. Thanks in advance!

Mika --

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-- 
Koichi Momma
National Museum of Nature and Science
4-1-1 Amakubo, Tsukuba, Ibaraki 305-0005, Japan
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[Andreas Leineweber]

Dear All,

I am currently using version 3.5.7 (64 bit)

Upon opening the unit cell -> customize menue, I get message

"iCCP: too short"

This did not happen with the previous version I had, however, to
replace. Is this problem known?

I also encounter the problem that upon saving certain structures with
customized space group, the program fails to read in all symmetry
operations of a structure with (hopefully correctly) customized space
group. I do not always encounter this problem, but it appears to happen
with the attached file.

Thank you for your help

Best regards

Andreas Leineweber


--
Prof. Dr. rer. nat. habil. Andreas Leineweber
Institute of Materials Science
TU Bergakademie Freiberg
Gustav-Zeuner-Str. 5
D-09599 Freiberg
Germany
Phone: +49-3731-39-2622
Fax: +49-3731-39-2604

http://tu-freiberg.de/fakult5/iww/