am looking to draw wurtzite unit cell of ZnO, and i find two of them enter image description here

and the second one

enter image description here

how can I draw the first one in software like vesta?

  • $\begingroup$ I think above is orthogonal cell and bottom one is hexagonal cell. You can simply check material project , where you can get initial geometry $\endgroup$ Sep 22 '21 at 12:34
  • $\begingroup$ 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 $\endgroup$ Sep 22 '21 at 12:40
  • $\begingroup$ 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 Bot
    Sep 22 '21 at 13:04
  • $\begingroup$ @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? $\endgroup$ Sep 22 '21 at 14:14
  • $\begingroup$ Correction to the previous comment, It is not an orthogonal cell , only difference between first and second is that origin lies at Zn atom. $\endgroup$ Sep 23 '21 at 5:37

Step1 : find the coordinate of a $\ce{Zn}$ atom, for example,enter image description here

Atom: 1 Zn1 Zn 0.33333 0.66667 0.00055

step 2 : go to edit> unit cell and click on transform enter image description here

Fill origin shift as 0.33333 0.6667 0.0055 and click ok and again ok enter image description here BAZINGAA enter image description here


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