am looking to draw wurtzite unit cell of ZnO, and i find two of them
and the second one
how can I draw the first one in software like vesta?
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$\begingroup$ I think above is orthogonal cell and bottom one is hexagonal cell. You can simply check material project , where you can get initial geometry $\endgroup$– Pranav kumarSep 22, 2021 at 12:34
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$\begingroup$ You can draw first one in ovito by transform hexagonal box to orthogonal box and slicing extra atom. You first have to find repeatable unit in orthogonal direction. Make sure not to take repeatable atoms in your unit cell $\endgroup$– Pranav kumarSep 22, 2021 at 12:40
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$\begingroup$ Please clarify your specific problem or provide additional details to highlight exactly what you need. As it's currently written, it's hard to tell exactly what you're asking. $\endgroup$– Community BotSep 22, 2021 at 13:04
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$\begingroup$ @pranavkumar since the question changed and is now only about how to draw the first one, maybe you can turn that comment into an answer? $\endgroup$– Nike DattaniSep 22, 2021 at 14:14
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$\begingroup$ Correction to the previous comment, It is not an orthogonal cell , only difference between first and second is that origin lies at Zn atom. $\endgroup$– Pranav kumarSep 23, 2021 at 5:37
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1 Answer
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Step1 : find the coordinate of a $\ce{Zn}$ atom, for example,
Atom: 1 Zn1 Zn 0.33333 0.66667 0.00055
step 2 : go to edit> unit cell and click on transform
Fill origin shift as 0.33333 0.6667 0.0055 and click ok and again ok
BAZINGAA
