Understanding the Unit Cell of Wurtzite Crystal Structure: A Brief Overview

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SUMMARY

The discussion focuses on the unit cell of the wurtzite crystal structure, characterized by an ABABABAB stacking sequence of hexagonal lattices. Two specifications of the unit cell are mentioned, with the first set of coordinates being (1/3, 2/3, ...). The user is developing a simulation of wurtzite crystals and seeks clarification on the significance of these coordinates, particularly regarding the positions of oxygen and zinc atoms within the unit cell. The source of the coordinates is identified as a webpage from Carnegie Mellon University.

PREREQUISITES
  • Understanding of crystal structures, specifically hexagonal lattices
  • Familiarity with the wurtzite crystal structure
  • Basic knowledge of atomic positioning in unit cells
  • Experience with simulation software for crystal modeling
NEXT STEPS
  • Research the specific atomic positions in wurtzite crystals using the coordinates from the CMU resource
  • Explore simulation tools for crystal structures, such as VESTA or CrystalMaker
  • Study the differences between wurtzite and zinc blende crystal structures
  • Learn about the implications of atomic positioning on the properties of wurtzite crystals
USEFUL FOR

Materials scientists, crystallographers, and researchers involved in simulating or studying the properties of wurtzite crystals will find this discussion beneficial.

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My teacher wrote down something to day which I wish I had written down myself. It was about the crystal structure of wurtzite, which is an ABABABAB stacking of hexagonal lattices. What he wrote was two different specifications of the unit cell of wurtzite depending on which groups of elements in the periodic table were used to build the crystal.
I think the first was something like (1/3,2/3,..) and I don't remember the next one.
The reason I ask now is that I'm building a simulation of wurtzite crystals in a programme and would like to know what he meant exactly.
 
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Never mind the first post. I found the numbers here on:
http://som.web.cmu.edu/structures/S014-ZnO.html
I suppose the numbers specify the position of an 0, and a Zn atom in the unit cell (the first two highlighted on the drawing going from bottom->up). But why are the coordinates of the other atoms not highlighted?
 

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