Homeworks W3: The Structure of Crystalline Solids

Hafid Suharyadi, M.Sc.

May 15, 2019

HANDIKA TRI GUWASTA
NURHAZANAH
SYAMSUL BAHRI
THEODORUS GALANG RANTETARUK

1 Short-Range Order versus Long-Range Order

Answer the following questions:

a. What is a crystalline material?

Answer : Materials comprising one or many small crystals or grains

b. What is a single crystal?

Answer : Single crystal is a crystalline material consiststing of only one large crystal

c. State any two applications in which single crystals are used.

Answer :

the production of high strength materials with low thermal creep, such as turbine blades and computer
chips are made from silicon in the form of large single crystal

d. What is a polycrystalline material?

Answer : polycrystals are solids that are composed of many crystallites of varying size and
orientation

e. What is a liquid crystal material?

Answer : liquid crystal are material with short range order and ling range order in small radius

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 f. What is an amorphous material?

Answer : Amorphous material is a material in which the arrangement of the material’s atoms does
not have long-range order (only short range order with the nearest neighbour)

g. Why do some materials assume an amorphous structure?

Answer :

Amorphous materials form when the kinetics of the process did not allow the for the
formation of peri-odic arrangements. An example is glass.

in amorphous materials, atoms or ions are not in their “regular” and periodic
arrangementsFor example, plastic, during its process, get their long chains of molecules
entangled, which does not al-low them to form a crystalline structure.

h. Explain how it is possible for a substance to exhibit short-range, but not long-range order.

When the substance are ordered in short range and only extend with the nearest neighbor of
atoms

i. Can an alloy exist in both crystalline and amorphous forms?

j. Approximately how many grains are shown in Figure 3-2(b) (See Askeland)?

Answer : around 80 grains

2 Lattice, Unit Cells, Basis, and Crystal Structures

Answer the following questions:

a. Define the terms lattice, unit cell, basis, and crystal structure.

Answer :

 A lattice is a collection of points, called lattice points, which are arranged in a periodic
pattern so that the surroundings of each point in the lattice are identical
 Basis is a group of atoms associated with a lattice point
 Unit cell ia a subdivision of the lattice that still retains the overall characteristics of the
entire lattice

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  Crystal structure A crystal is a periodic arrangement of atoms, it’s can be described in terms
of its lattice and motif

b. List the seven different crystal systems and the types of Bravais lattices that are associated with
their groups.

Answer :

1) Cubic
 Simple cubic
 Face centered cubic
 Body centered cubic
2) Tetragonal
 Simple Tertargnal
 Face centered tetragonal
3) Hexagonal
4) Orthorhombic
 Simple orthorhombic
 Body centred othotrhombic
 Base centeres orthormonbic
 Face centered orthorhombic
5) Rhombohedral
6) Monoclinic
 Simple monoclinic
 Base centered monoclinic
7) Triclinic

c. Explain why there is no face-centered tetragonal Bravais lattice.

Answer :

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 Bravais lattices are not defined in terms of unit cell shapes and size. They are defined on the basis
of symmetry. A tetragonal crystal system has a defining symmetry of a single four-fold
rotation axis but a face-centred tetragonal (FCT) lattice does have this symmetry. this
diagram also shows that the face-centered tetragonal cell is part of a lattice where a smaller
body-centered tetragonal

d. Calculate the atomic radius in cm for the following:

Answer :

• BCC metal with a0 = 0.3294 nm;

√3 √3
𝑟= . 𝑎0 = (0.3294𝑥10−7 𝑐𝑚) = 1.47𝑥10−8 𝑐𝑚
4 4

• FCC metal with a0 = 4.0862 Å.

√2 √2
𝑟= . 𝑎0 = (4.0862𝑥10−8 𝑐𝑚) = 1.44𝑥10−9 𝑐𝑚
4 4

3 Lattice, Unit Cells, Basis, and Crystal Structures

Calculate the atomic packing fraction for the following structure:

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a. FCC.
Answer :
√2
𝑟= 𝑎
4 0
4 √2
4 𝑥 3 𝜋 ( 4 𝑎0 )3
𝐴𝑃𝐹 = = 0.74
(𝑎0 )3

b. HCP with c a. Remember that the base of the unit cell is a parallelogram.

Answer :

2a
c

2𝑎
𝑟=
4

1 3
𝑡 = √𝑎2 − 2 𝑎2 = √4 𝑎
a t

0.5 a

1 3
𝐿𝑎 = 6𝑥 𝑎𝑥𝑡 = 3𝑎 √ 𝑎
2 4

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 3
𝑉 = 𝐿𝑎 𝑥 𝑡 = 3𝑎 √ 𝑎 𝑥 𝑐
4

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𝑐 = √ 𝑎 → 𝑐 = 1.633 𝑎
3

4 1 4 1
6 𝑥 3 𝜋(2 𝑎)3 6 𝑥 3 𝜋(2 𝑎)3
𝐴𝑃𝐹 = = = 0.74
3 3
3𝑎√4 𝑎 𝑥 𝑐 3𝑎 √4 𝑎 𝑥 1.633 𝑎

4 Points, Directions, and Planes in the Unit Cell

Answer the following questions:

a. Explain the significance of crystallographic directions using an example of an application.

b. Determine the Miller indices of the directions for the following points:

• from (1, 0, 2) to (2, 4, 1);

= 2,4,1 – 1,0,2

= 1,4,-1

= [141̅]

• from (2, 1, 3) to (5, 4, 2);

= 5,4,2 – 2,1,3

= 3,3,-1

= [331̅]

• from (3, 1, 3) to (9, 1, 5).

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 = 9,1,5 – 3,1,3

= 6,0,2

= [602]

c. Indicate the directions [111], [025], and [414] within a unit cell.

d. Determine the Miller indices for the directions in the cubic unit cell shown in Figure 3-37 (see
Askeland).

Direction A

(0,1,1) to (0,1,0)

= 0,1,0 – 0,1,1

= 0,0,-1

= [001̅]

Direction B

1
(0,1,0) to (2,0,0)

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 1
= 2,0,0 – 0,1,0

1
= 2,-1,0 clear fraction 1,-2,0

= [12̅0]

Direction C

(1,0,0) to (0,1,1)

= 0,1,1 – 1,0,0

= -1,1,1

= [1̅11]

Direction D

1 1
(0,2,1) to (1,0,2)

1 1
= 1,0,2 - 0,2,1

1 1
= 1,- 2,- 2 clear fraction 2,-1,-1

=[21̅1̅]

e. Determine the indices for the directions in the cubic unit cell shown in Figure 3-38 (see Askeland).

Direction A

(1,0,0) to (0,0,1)

= 0,0,1 – 1,0,0

= -1,0,1

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= [1̅01]

Direction B

1
(2 , 1,0) to (1,0,1)

1
= 1,0,1 - 2,1,0

1
= ,-1,1 clear fraction 1,-2,2
2

= [12̅2]

Direction C

3
(0,4, 1) to (1,0,0)

3
= 1,0,0 - 0,4, 1

3
= 1,- 4,-1 clear fraction 4,-3,-4

=[43̅4̅]

Direction D

1
(1,0,0) to (0,1,2)

1
= 0,1,2 – 1,0,0

1
= -1,1,2 clear fraction -2,2,1

= [2̅21]

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f. Indicate the planes (100), (134), and (101) within a unit cell.

g. Determine the indices for the planes in the cubic unit cell shown in Figure 3-39 (see Askeland).

Plane A

(000)

Plane B

1
x=∞,y=3,z=∞

reciprocals = 0,3,0

(030)

Plane C

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 1
x = -1 , y = ∞ , z = 2

reciprocals = -1,0,2

(1̅02)

Plane A

X=0 ; y=1 ; z=1

Reciprocals → x=0 ; y=1; z=1

(011)

Plane B

X=∞ ; y=1/3 ; z=∞

Reciprocals → x=0 ; y=3; z=0

(030)

Plane C

x=-1/2 ; y=∞; z=1/2

Reciprocals → x=-2 ; y=0; z=2

(2̅02)

h. Determine the indices for the planes in the cubic unit cell shown in Figure 3-40 (see Askeland).

Plane A

x=0 ; y=1/2; z=3/4

Reciprocals → x=0 ; y=2; z=4/3

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 (064)

Plane B

x=1 ; y=1/4; z=∞

Reciprocals → x=1 ; y=4; z=0

(140)

Plane C

x=1/2 ; y=3/2; z=1/2

Reciprocals → x=2 ; y=2/3; z=2

(626)

i. Sketch the following planes and directions within a cubic unit cell:

• [101]

• [01̅0 ]

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• [122̅]

• [301]

• [201̅]

13
• [213̅]

• (01̅1̅)

• (102)

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 𝟏
𝟐

• (002)

• (13̅0)

• (212̅)

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 • (31̅2̅)

5 Diffraction Techniques for Crystal Structure Analysis

Figure 3-45 shows the results of an x-ray diffraction experiment in the form of the intensity of the
diffracted peak versus the 2θ diffraction angle. If x-rays with a wavelength of 0.15418 nm are used,
determine

a. the crystal structure of the metal;

b. the indices of the planes that produce each of the peaks; and

c. the lattice parameter of the metal.

Figure 3-45 shows the results of an x-ray diffraction experiment in the form of the intensity of
the diffracted peak versus the 2q diffraction angle. If x-rays with a wavelength of 0.15418 nm are
used, determine
a. the crystal structure of the metal;
b. the indices of the planes that produce each of the peaks; and
c. the lattice parameter of the metal.

Solutions: The 2θ values can be estimated from Figure 3-45

2θ Sin Sin Plana d = ɑo = d
2
θ 2
θ/0.00 r λ/2Si √h2 + k2 + l2
77 indic nθ
es
1 17. 0.02 3 (111) 0.506 0.8778
5 3 8
2 20. 0.03 4 (200) 0.433 0.8664
5 2 2
3 28. 0.06 8 (220) 0.313 0.8859
5 1 2

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 4 33. 0.08 11 (311) 0.267 0.88722
5 3 5
5 35. 0.09 12 (222) 0.252 0.8761
5 3 9
6 41 0.12 16 (400) 0.220 0.8804
3 1
7 45 0.14 19 (331) 0.201 0.8779
6 4
8 46. 0.15 20 (420) 0.195 0.8734
5 6 3

The sin2θ values must be divided by 0.077 (one third the first sin2θ value) in order to produce a
possible sequence of numbers)
(a) The 3,4,8,11, . . . sequence means that the material is FCC
(b) The average ɑo = 0.8781 nm

–end–

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