STRUKTUR

KRISTAL
 Arah Kristalografik
• Kristal kubus
– Arah diberi nama berdasarkan proyeksi vektor dari titik
awal suatu kristal ke titik lain didalam sel..
• Gunakan sistem koordinat kartesian tangan kanan
• PARAMETER ARAH GRAFIK KRISTAL
– Posisi titik
– Arah garis
– Arah bidang
– .
 TITIK, GARIS DAN BIDANG PADA KRISTAL
• Pada kristal penting untuk menyatakan titik, garis dan bidang
didalam sel satuan dari kisi kristal.
• Ada tiga indeks digunakan untuk menyatakan titik, garis dan
bidang berdasarkan notasi geometri dasar.
• Tiga indeks ditentukan dengan menentukan titik awal pada
salah satu sudut dari sel satuan dan sumbu koordinat
sepanjang sisi.
 Titik Koordinat
• Setiap titik di dalam sel satuan menyatakan sebagai
perkalian fraksi dari panjang sisi sel satuan.
• Position P specified as q r s; convention: coordinates
not separated by commas or punctuation marks
 EXAMPLE: POINT COORDINATES
• Locate the point (1/4 1 ½)

• Specify point coordinates for all atom

positions for a BCC unit cell
– Answer: 0 0 0, 1 0 0, 1 1 0, 0 1 0, ½ ½ ½,
0 0 1, 1 0 1, 1 1 1, 0 1 1
 Posisi titik
• Titik kisi ditulis dalam bentuk h,k,l, dimana
ketiga indeks berhubungan dengan fraksi
parameter kisi pada arah x,y,z.
 Arah kristalografik
Arah garis kristal

• Pilih titik awal kisi pada garis katakanlah titik O. Pemilihan titik
awal sembarang karena titik kisi identik (sifat simetri)
• Kemudian hubungkan vektor kisi dari titik kesembarang
katakanlah R maka vektor dapat ditulis sbb;
R = ha + kb + lc
[ ... ] menyatakan arah garis pada kristal sedangkan [h k l]
menyatakan titik yang merupakan bilangan bulat terkecil.
 Arah garis negatif
• Ketika menulis [h k l]
tergantung titik awal
perjanjian, arah negatip
bisa ditulis

[ R  h a  k b  l c]

• h k l harus lebih kecil

dari nol bilangan
integer
Examples of crystal directions

X = 1 , Y = 0 , Z = 0 ► [1 0 0]
210

X=1,Y=½,Z=0
[1 ½ 0] [2 1 0]
Kumpulan garis ekuivalen <100>
adalah [100], [010], [001]
 Exercises:
• Draw a [1,-1,0] direction within a cubic unit cell

• Determine the indices for this direction

– Answer: [120]
 Crystal Planes
• Within a crystal lattice it is possible to identify sets of equally spaced
parallel planes. These are called lattice planes.
• In the figure density of lattice points on each plane of a set is the
same and all lattice points are contained on each set of planes.

b b
a a
 MILLER PLANES
ATOM ATOM TERSUSUN SECARA PERIODIK

Setiap biudang Kristal dicirikan oleh:

(1) Orientasi pada Kristal (hkl) – terkenal dengan indek Miller
(2) nilai jarak antara bidang d-spacing (dhkl) – jarak antara dua bidang
ditinjau dari berbagai posisi
h, k, l sesuai dengan jumlah segmen yang
berhubunagn dengan nilai parameter kisisnya
a, b, c

semakin tinggi jarak bidang (hkl),

Semakin dekat bidang interplanar distance,
dhkl ( ingat dengan kisi reciprocal)

Contoh bidang
Kristal dalam 2 D

14
 Bidang Kristal 3 D dengan pengindekan miller
Bidang Kisi 3 dimensi 3D
Dimungkinkan untuk menggambarkan arah dan bidang tertentu sehubungan dengan
kisi kristal menggunakan satu set tiga bilangan bulat yang disebut sebagai Indeks
Miller. Indeks Miller menggambarkan orientasi dan jarak keluarga bidang dan
disimbulkan pada kurung kurawal {. . . }

(010)
Bentuk disamping
sebagai ilustrasi darai (110)
kisi Tetragonal
sederhana
Pada keluarga bidang
(001). (2 10)
(210)
( 1 20)
 Bidang Kristal 3D
z
Contoh 1 a b c
1. Intercepts 1 1  c
2. Reciprocals 1/1 1/1 1/
1 1 0
3. Reduction 1 1 0 y
a b
4. Miller Indices (110)
x
z
Contoh 2 a b c
1. Intercepts 1/2   c
2. Reciprocals 1/½ 1/ 1/
2 0 0
3. Reduction 2 0 0
y
4. Miller Indices (100) a b
x
Contoh 3 z
a b c
1/2 1 3/4
c
1. Intercepts 
2. Reciprocals 1/½ 1/1 1/¾
2 1 4/3 
 y
3. Reduction 6 3 4 a b

4. Miller Indices (634) x

Family of Planes {hkl}

Ex: {100} = (100), (010), (001), (100), (010), (001)

Adapted from Fig. 3.9, Callister 7e.
 Arah Kristal
z
Algorithm
1. Vector repositioned (if necessary) to pass

through origin.
a2 2. Read off projections in terms of unit
cell dimensions a1, a2, a3, or c
- 3. Adjust to smallest integer values
a3
4. Enclose in square brackets, no commas
a2
a1 [uvtw]
a2 -a3
Adapted from Fig. 3.8(a), Callister 7e.
2

ex: ½, ½, -1, 0 => [ 1120 ] a3

a1
2
dashed red lines indicate
projections onto a1 and a2 axes a1
 • Hexagonal Crystals
– 4 parameter Miller-Bravais lattice coordinates are
related to the direction indices (i.e., u'v'w') as follows.

[ u 'v 'w ' ] ® [ uvtw ]

1
u = ( 2 u ' - v ')
a2
3

- 1
a3
v = ( 2 v ' - u ')
a1 3
Fig. 3.8(a), Callister 7e.
t = - ( u + v )

w = w '
• In hexagonal unit cells the same idea is
used z

Contoh 4 a1 a2 a3 c
1. Intercepts 1  -1 1
1 1/ a2
2. Reciprocals -1 1
1 0 -1 1
3. Reduction 1 0 -1 1 a3

a1

4. Miller-Bravais Indices (1011)

Adapted from Fig. 3.8(a), Callister 7e.
Jarak tiap tiap bidang dapat dihitung
Contoh

Untuk jarak 2 bindang (h k 0)

d
sin  
a h
dd
cos  
(bb/ kh)
Ф
sin 2   cos 2   1
Ф
d2 d 22
  1
a h  (bb/ h
k )
2 22

 h2 k 2 
d  2  2  1
2

a b 
1 h2 k 2
 2
 2
 2
d a b
 Sehingga untuk jarak antara 2 bidang (h k l) menjadi

1 h2 k 2 l 2
  2  2
d2 a 2
b c
Bila nilai a, b, c dan h, k, l diketahui maka, d dapat
dihitung
Contoh Calculate the separation of (a) the (123) planes and (b) the
(246) planes of an orthorhombic cell with a = 0.82 nm, b = 0.94 nm,
and c = 0.75 nm
From 1 h2 k 2 l 2
  2  2
d2 a 2
b c
(a) 1 1 4 9
  
0.82  0.94  0.75 
2 2 2
d2
2
 22  nm 
1
d 2
  0.21 nm
22
(b) 1 4 16 36
  
0.82  0.94  0.75 
2 2 2
d2
2
 4 x 22  nm 
1
d 2
  0.10 nm
4 x 22
 Miller Indices 2
Miller Indices of Directions
1. Choose a point on the direction as the origin.

z
2. Choose a coordinate system with axes parallel
to the unit cell edges.

y 3. Find the coordinates of another point on the

direction in terms of a, b and c

1a+0b+0c 1, 0, 0
x

4. Reduce the coordinates to smallest integers. 1, 0, 0

5. Put in square brackets [100]

 Miller Indices 3

z
Miller indices of a direction
represents only the
orientation of the line
corresponding to the
y
direction and not its position
or sense

x [100]

All parallel directions have the same

Miller indices
 Miller Indices of
Directions (contd.)
z OA=1/2 a + 1/2 b + 1 c

Q z 1/2, 1/2, 1
A
[1 1 2]

y
PQ = -1 a -1 b + 1 c
y
O
-1, -1, 1

P _ _
x
[111]

-ve steps are shown as bar over the number

 Miller Indices 4
Miller indices of a family of symmetry related directions

uvw = [uvw] and all other directions related to [uvw] by the symmetry of
the crystal

[001]
Tetragonal
Cubic

[010]

[010]
[100]
[100]
= [100], [010]
100 = [100], [010], 100 tetragonal
cubic [001]
 Miller Indices for planes
z
1. Select a crystallographic coordinate
system with origin not on the plane

2. Find intercepts along axes in 111

terms of respective lattice
parameters

y 3. Take reciprocal 111

O

4. Convert to smallest integers in the same

x
ratio
111

5. Enclose in parenthesis

(111)
 Miller Indices for planes (contd.)
Plane ABCD OCBE

origin O O*
z
z

E
intercepts
1 ∞∞ 1 -1 ∞
reciprocals 100 1 -1 0

A Miller Indices _
B (1 0 0) (1 1 0)
O*
O

y
Zero represents that the Bar represents a
plane is parallel to the negative intercept
D
corresponding axis
C

x x
Miller indices of a plane specifies only its
orientation in space not its position
All parallel planes have the same
Miller Indices
z

E ___

(h k l )  (h k l )
A
B
O
_
y (100)  (100)

D
C

(100)
Miller indices of a family of symmetry related planes

= (hkl ) and all other planes related to

{hkl } (hkl ) by the symmetry of the crystal

All the faces of the cube are equivalent to

each other by symmetry

Front & back faces: (100)

Left and right faces: (010)

Top and bottom faces: (001)

{100} = (100), (010), (001)

Miller indices of a family of symmetry z
related planes
Tetragonal
z

Cubic

x
x

{100}tetragonal = (100), (010)

{100}cubic = (100), (010), (001)
(001)
 Some IMPORTANT Results

Weiss zone law

Not in the textbook

Condition for a direction [uvw] to be parallel to a plane or lie in the plane (hkl):

hu+kv+lw=0

True for ALL crystal systems

 CUBIC CRYSTALS
[111]

[hkl]  (hkl) (111)

C

Angle between two directions [h1k1l1] and [h2k2l2]:

h1h2  k1k 2  l1l2

cos  
h12  k12  l12 h22  k 22  l22
 dhkl
Interplanar spacing between ‘successive’
cubic
(hkl) planes passing through the corners
of the unit cell
d hkl  a
h 2  k 2 l 2
z

B
O O

d100  a a
d1 1 0 
2
(100)
x x
Summary of Notation convention for Indices

[uvw] Miller indices of a direction (i.e. a set of

parallel directions)
(hkl) Miller Indices of a plane (i.e. a set of
parallel planes)

<uvw> Miller indices of a family of symmetry

related directions
{hkl} Miller indices of a family of symmetry
related planes
BAGAIMANA MENENTUKAN
PENGINDEKAN MILLER

Miller indices are the

reciprocal intercepts of the
plane on the unit cell axes.
1 1 1
: :  h:k :l
r s t
Example: 1/3:1/2:1/1 = 2:3:6
The Miller index is (236)
contoh
(1 1 0)
(110)

b (111)

a c
(100)
(010) b

c
a

a Pusat
 hexagonal, four axis (a1,a2,a3,c) (hkil), i=-(h+k)
(0001) c

c
( 1 2 1 0)
a3 90° 90°

(1 1 00)
120° a2
120°

b a1
a
(10 1 1)

hexagonal, four axis (a1,a2,-(a1+a2),c)

Arah Kristal

[1
22]

[0
01]

c [1
00]

b [1
10]
[2
10]
a [1
00]

[120
]

[120
]
Contoh arah Kristal pada bidang (111) .

[ 1 1 2]
[ 1 10 ]
c
[0 1 1]

a
(111)

Terlihat arah Kristal se;lalu tegak lurus pada bidang kristalnya.

The spacing between adjacent planes in a family is
referred to as a “d-spacing”

Cubic : 1/d2 = (h2+k2+l2)/a2

atau d2 = a2/(h2+k2+l2)

Tetragonal: 1/d2 = (h2+k2)/a2 + l2/c2

Orthorhombic: 1/d2 = h2/a2+k2/b2 + l2/c2

The spacing between adjacent planes in a family is
referred to as a “d-spacing”

Hexagonal:
1/d2 = (4/3)(h2+hk+k2)/a2 + l2/c2
Monoclinic:
1/d2 = [(h/a )2 + (k/b )2sin2 + (l/c )2
- (2hl/ac)cos]/sin2
Triclinic: