Atoms outside unit cell boundary

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millenia hexe

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Mar 2, 2017, 7:14:24 AM3/2/17
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Hi, VESTA is displaying the atoms outside the unit cell boundary and I would like to change it so I only see the atoms within the cell. How can I do this?

Thanks

Louis Fry

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Mar 3, 2017, 9:50:58 AM3/3/17
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Hi, did you render the bonds? When you render bonds it draws the atoms outside the cell that make bonds. Otherwise I am not sure, are you able to provide a .vesta file I can have a quick look if it's something I can do :)

Thanks

millenia hexe

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Mar 4, 2017, 8:20:17 PM3/4/17
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Hi Luis,

thank you for your reply. I have not altered the file in any way, is the cif file as downloaded from the database. My colleague using VESTA does not have this problem and we cannot figure it out, I am new to Vesta so it may be something super simple :) Here is a file I used, and a screenshot of what it looks like, any help would be appreciated, thanks! :)
Mill
vesta.png
969710.cif

Louis Fry

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Mar 8, 2017, 6:48:20 PM3/8/17
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Hi Mill,

   Sorry I didn't get back to you sooner, I didn't check this email account for a while.. It definitely is the bonds rendering, so what I did was 'Save As' a vesta file (attached), then went to Edit->Bonds and there should be a list, which I 'Clear'ed, which now shows you the unit cell without any atoms outside the unit cell! You should now be able to save as new .cif.. 

Kindest regards,
Louis

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969710.vesta

millenia hexe

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Mar 14, 2017, 3:23:50 PM3/14/17
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Louis, thank you that is very helpful, it is working for me now!

Mill
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Louis Fry

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Mar 14, 2017, 6:58:50 PM3/14/17
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Hi Mill I'm glad that worked for you! Louis

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