Ideal hcp lattice, ratio c/a = 1.633 proof

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SUMMARY

The ideal hexagonal close-packed (hcp) structure has a c/a ratio of 1.633, derived from mathematical calculations involving atomic radii and geometric relationships. The calculations begin with the equation c/2 = a/2, leading to a series of equations that incorporate the Pythagorean Theorem and the properties of tetrahedrons formed by atoms. The final derivation confirms that the c/a ratio equals (8/3)^(1/2), which is approximately 1.6329. This proof is essential for understanding the geometric configuration of hcp lattices in crystallography.

PREREQUISITES
  • Understanding of geometric principles, particularly the Pythagorean Theorem.
  • Familiarity with hexagonal close-packed (hcp) crystal structures.
  • Knowledge of atomic radii and their relationship in lattice structures.
  • Basic algebra and manipulation of equations.
NEXT STEPS
  • Study the derivation of the c/a ratio in various crystal structures, focusing on hcp and face-centered cubic (fcc) lattices.
  • Explore the application of the Pythagorean Theorem in crystallography.
  • Learn about the geometric properties of tetrahedrons in relation to atomic arrangements.
  • Investigate the implications of the c/a ratio on material properties and behaviors in solid-state physics.
USEFUL FOR

Students and researchers in materials science, crystallography, and solid-state physics, particularly those studying atomic structures and their geometric configurations.

skyav
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Homework Statement



q: show that for an ideal hcp structure the c/a ratio is equal to (8/3)^(1/2) = 1.633

this question has come up before in the forum but still it has not fully answered:

Kouros Khamoushi
Dec30-05, 12:27 AM
This is the mathematical calculation ^ means to the power of

c/2 = a/2 Then a^2 /2 = c^2/2

a^2 + a^2
----- = (4R)^2
2

2a^2+a^2
-------------- = 16 R^2
2

3a^2 = 2 *16 R^2

a^2 = 2*16 R^2
-----
3

a = 2* square root of 16 divided by square root of 3

a = 8 / 3 = 1.6329 R
Kouros Khamoushi
Jan26-06, 06:48 PM
The assumptions above are roughly correct, but we have to take into the considerations the Pythagorean Theorem.
The Pythagorean Theorem states: b^2=a^2+c^2. as well as c/2 or half of hexagonal crystal structure as well as the cosine for 30 degree triangles generated by the hole in Hexagonal closed packed.
So we write:
c/a half of this c/2.

Cos 30 degree
skyav
Feb9-09, 03:49 PM
Dear all,

i have tried. the last post by Kouros Khamoushi almost worked...

how ever i do not understand where some of the steps...

1. c/2 = a/2? how?

2. 3a^2 = 2 *16 R^2? where in the world did the factor of 3 come from on the LHS of this eqn.

You are prob correct... however please clarify the steps as i am totally baffled.

ps. inha: what shape of slice do u mean? also i hope it is from hexagonal lattice?


Kind regards.
 
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skyav said:
c/2 = a/2 Then a^2 /2 = c^2/2
This is not correct.

To solve the geometric problem, consider a tetrahedron formed by 4 atoms, where 1 atom is equidistant from the other three, with the distance between the centers of the atoms = a = 2R (R = atomic radius). The height of the tetrahedron is simply half the height of the unit cell c/2, and the height of the tetrahedron can be determined in terms of a (or R).
 

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