Derivation of lattice parameter of zinc blende crystal structure

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SUMMARY

The lattice parameter of the zinc blende crystal structure can be derived in terms of the Zn-S separation distance, l, using the formula a = 4/√3 * l. The derivation involves constructing an isosceles triangle with a sulfide ion at the center and two adjacent zinc atoms, leading to the calculation of the opposite side x using the law of cosines. The correct relationship between x and the lattice parameter a is established as a = 2x, with the bond angle being arccos(-1/3). This clarification resolves the initial confusion regarding the relationship between x and a.

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  • Understanding of crystal structures, specifically zinc blende.
  • Familiarity with geometric principles, including the law of cosines.
  • Knowledge of trigonometric functions and their applications in geometry.
  • Basic concepts of lattice parameters in solid-state physics.
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  • Study the derivation of lattice parameters in various crystal structures.
  • Learn about the geometric properties of tetrahedral coordination in crystals.
  • Explore the application of the law of cosines in three-dimensional geometry.
  • Investigate the significance of bond angles in determining crystal stability.
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Students and researchers in materials science, solid-state physics, and crystallography who are interested in understanding the geometric relationships in crystal structures, particularly zinc blende.

emmanuelpn
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I need to derive the lattice parameter in terms of the Zn-S separation distance, l.

I looked up the value and I've found it to be
a = \frac{4}{\sqrt{3}}l

The way that I started my derivation was saying that each tetrahedron has a sulfide ion in the center, so then we can make a triangle from the center point, and two zinc adjacent atoms. This isosceles triangle will have an angle
θ = cos-1\frac{1}{3}
with two equal sides of the separation distance l, and an opposite side of the angle θ, let's call it x. Finding x is then easy using the law of cosines.
x2 = 2l2 – 2l2cosθ
then
x = \frac{2}{\sqrt{3}}l

Now, I'm having a hard time relating x to a. And the only way it seems to work out to get the answer I looked up is by saying a = 2x. But from the crystal structure, my mind tells me \sqrt{2}a = 2x.

Does anyone know what's going on?

 
Last edited:
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Found my mistake! the bond angle is arcos(-⅓)!
 

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