The Hexagonal Closed-packed Crystal Structure (HCP)
Adapted from Figure 3.30, W. Callister, Fundamentals of Materials Science and Engineering: An Integrated Approach, 2e, P. 71, Copyright (c ) 2005 by John Wiley & Sons, New York.
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Number of Atoms per unit cell
First, each corner atom is shared among six unit cells. 1/6 Second, the atoms located in the center of the top and bottom planes belong to only two unit cells.
HCP
1/2
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Number of Atoms per unit cell
Third, there are three independent atoms in the center of this structure. So, a total of 6 whole atoms are assigned to such a unit cell.
HCP
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Number of Atoms per unit cell
For the HCP crystal structure, total of 6 whole atoms are assigned to a given structure.
1/6 1/2
HCP
1 1 12 + 2 + 3 = 6 6 2
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Coordination number
The coordination number for HCP is 12. For example, first, this blue atom has 6 nearest neighbors around it on this plane. Second, there are three atoms above it, and another three are beneath this atom.
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HCP
Atomic Radius and Lattice Parameter
The hexagon edge length a and the atomic radius R are related through
HCP
a=2R
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Atomic packing factor
The atomic packing factor is the fraction of solid sphere volume in cell, assuming the atomic hard sphere model. The APF for HCP is the same as FCC:0.74
HCP
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Atomic packing factor
1.Calculate the height C of the hexagonal structure with the aid of this regular tetrahedron.
HCP
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Atomic packing factor
b
HCP
3 2 3 b= a = a 2 3 3
a 6 = h = a b = a a 3 3
2 2 2 2
2 6 c = 2h = a 3
b
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Atomic packing factor
2.Calculate the volume of atoms in a unit cell
HCP
4R 3 Va = 6 = a 3
3
3.Calculate the total unit cell volume
1 3 2 6 3 Vc = Sc = (6 a a) a = 3 2a 2 2 3
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Atomic packing factor
4. The atomic packing factor for the HCP
HCP
APFHCP
Va a 3 2 = = = = 0.74 6 Vc 3 2a 3
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