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Introduction




















Learning Objectives

On completion of this chapter you will be able to:

1. Distinguish the structures of Face Centered Cubic and Hexagonal Closely Packed
crystals.
2. Draw the crystal structures of FCC and HCP.
3. Calculate the number of atoms in a unit cell, coordination number, atomic radius
and atomic packing factor for FCC and HCP structure.
4. Discuss the experimental verification of Compton scattering.


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Face Centered Cubic (FCC) Structure:-

In FCC structure, the atoms are located at each of the eight corners and
at the centers of all cube faces of the unit cell. Each face centered atom touches its
nearest neighbor corner atoms. The following figure shows the arrangement of lattice
points for a FCC unit cell and the actual packing of atoms within the unit cell. This
face-centered lattice is also called as cubic closed packed (CCP) structure.






(FCC lattice point representation) (Hard sphere model of FCC)

(1) Calculation of Number of Atoms per Unit Cell (n):
Keeping the following points in mind we can calculate the number of atoms in a
unit cell.
An atom at the corner is shared by eight unit cells. Hence an atom at the corner
contributes 1/8 to the unit cell. Then,
An atom at the face is a shared by two unit cells
Contribution of each atom on the face is 1/2 to the unit cell.
An atom within the body of the unit cell is shared by no other unit cell
Contribution of each atom within the body is 1 to the unit cell.
An atom present on the edge is shared by four unit cells
Contribution of each atom on the edge is 1/4 to the unit cell.
By applying these rules, we can calculate the number of atoms in the different
cubic unit cells a crystal.
A face centered cubic unit cell has one atom at each corner and one atom at
each face center, being shared by two unit cells and making a contribution of only 1/2
to a particular unit cell.
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Hence, a face centered cubic unit cell has
8 (at corners) x 1/8 + 6 (at face centers) x 1/2 = 4 atoms








(3D view showing the number of atoms per unit cell)

(2) Coordination number (CN):
If we consider the corner atom, the face centered atoms are the nearest
neighbors. A corner atom has four face centered in its own plane, four in a plane above
and four in a plane below it. Hence, the coordination number is 12.
Due to its highest CN, this is a closed packed structure.

(3) Atomic radius (r):
As widely known, the corner atoms do not touch each other. But, each corner
atom touches the face centered atoms along the diagonal of the face of the cube as
shown in figure. Hence, the two corner atoms (A & C) situated at the opposite ends of
the same face can be joined by drawing a diagonal.
From the geometry, one can write
AC
2
= AB
2
+ BC
2

4r
2
= a
2
+ a
2

4r = a 2
Atomic radius r = a 2 /4


B
a
a
2r
C
A
4r
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(4) Atomic Packing Factor (APF):
In FCC, the number of atoms per unit cell = 4.
Volume of 4 atoms = 4 x 4/3 r
3

We know that r = a 2 /4. Now,
Volume occupied by the atoms per unit cell (v)
3
16 a 2
3 4
(

=
(



3
a 2
6

=
Then, the atomic packing factor is given by
APF
3
3
a 2
6
a
| |

|
|
\
= = 0.74
Therefore, we can say that 74% volume of the unit cell of FCC is occupied by atoms and
remaining 26% volume is vacant. Since the packing density is very high, the FCC
structure has closely (or) tightly packed structure.




Hexagonal Close Packed (HCP) Structure:-
The unit cell of HCP system has 12 corner atoms, one at each and every corner of
the hexagon with two base centered atoms, one at the top face of the hexagon and
another at the bottom face of the hexagon as shown in figure.
In addition to the corner and base atoms, there are three symmetrically arranged
atoms in between the top and bottom face of the hexagon. Three additional atoms are
located between top and bottom planes, which are illustrated in hard sphere model as
shown in figure.



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(Hard sphere model) (Lattice point representation)

(1) Calculation of Number of Atoms per Unit Cell (n):
One half of the each of the 2 base centre atoms (2x1/2), one six of the each of
the 12 corner atoms (12x1/6) and all the 3 mid plane interior atoms contribute to the
HCP unit cell. Thus, the effective number of atoms per unit cell of HCP is 6.

(2) Coordination number (CN):
In HCP unit cell, the base centered atom touches six corner atoms in the same
plane, three atoms in a plane above and three more atoms in a plane below it.
Therefore, each atom has 12 nearest neighbors. So, the coordination number is 12.

(3) Atomic radius (r):
The corner atoms touch each along the edge of the hexagon.
2r = a
r = a/2




2r
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(4) c/a ratio:
To calculate c/a ratio, the triangle in the bottom layer of the HCP unit cell. Let
c be the height of the unit cell and a be the distance between two nearest neighboring
atoms.
Consider the triangle ABO which is shown in the figure. Here, A, B and O are the
atoms of the bottom layer and y is the next layer atom which lies exactly above this
plane at a distance c/2.








From triangle ABA,
Cos 30
0
= AA / AB.
Solving, one can get AX = a/3
1/2
.
Similarly, from triangle AXY,
AY
2
= AX
2
+ XY
2

a
2
= (a/3
1/2
)
2
+ XY
2

XY
2
= 2a
2
/3
Since XY = c/2, (c/2)
2
= 2a
2
/3 c/a = 1.633.

(5) Atomic Packing Factor (APF):
In HCP, the number of atoms per unit cell = 6.
At first, we have to find the volume of a HCP unit cell (V) that is
= Area of hexagonal face x height of the hexagon
= Area of each triangle x 6 x height of the hexagon
= ( x base x height) x 6 x c
A
a
B
O
A
A A
X
Y
O
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= ( x a x h) x 6 x c
= ( x a x a3
1/2
/2) x 6 x c
= (3
3/2
a
2
/ 2) x c.
Since r = a/2,
Volume of all atoms in a unit cell (v) = 6 x (4r
3
/3)
= 6 x [4(a/2)
3
/3]
= a
3
.
Now, APF = v / V
One can easily substitute the values of v and V in the above equation and find the APF
value as 0.74 or 74% which is same as that of FCC.
Therefore, we cab say that 74% volume of the unit cell of HCP is occupied by
atoms and remaining 26% volume is vacant which implies that HCP structure can be
termed as tightly or closely packed structure.

Check Your Understanding (CYU) *
1. How many number of equidistant nearest neighbors in a FCC structured crystal?
2. What is the atomic packing factor for (i) FCC and (ii) HCP?
3. Give me some examples for (i) FCC and (ii) HCP crystal structure.

Summary
On completion of this chapter you have learned the following:
FCC HCP
Atomic radius a/2
3/2
a/2
Nearest neighbor distance a/2
1/2
A
Coordination number 12 12
Number of atoms per unit cell 4 6
Packing factor 0.74 0.74


* (Check the correct answers on next page)
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Activity
Try to collect some additional materials regarding FCC and HCP and then you
may attempt to do some models demonstrating the 3D view of the FCC and HCP
structures.

Suggested Reading
1. P.K. Palanisamy, Engineering Physics, Scitech Publications Pvt Ltd, Chennai.
2. C. Shanthi et al., Engineering Physics, Sonaversity, Salem.
3. M. Arumugam, Engineering Physics, Anuradha Agencies, Kumbakonam.
(And some other open resources from internet)

Answers to CYU
1. 12.
2. for (i) & (ii), 0.74.
3. (i) Aluminium, Copper, Gold (ii) Magnesium, Titanium, Zinc