CHAPTER 4

Crystal Structure ：
Fundamental Crystallography, Crystal
Structure of Metals and X-Ray Diffraction
1
 structure

4.1 Introduction
◎ In this chapter we expand our view of materials to
incorporate larger numbers of atoms
◎Crystallinity: Crystalline solids and Amorphous solids
● Amorphous solids ： show SRO (short range order )in
three dimensions , but no LRO (long range order)
● Crystalline solids ： exhibit both SRO and LRO in
three dimensions F3.22
● Semicrystalline solids
165 163

2
4.2 Crystal System

to name the crystalline structure of a material,

to identify the crystalline structure of a material
to view the crystal to be composrd of lattice
point (instead of atoms)
(If you look at atoms making up a material to identify or to distinguish it from
others, you will say every material has its own crystalline structure. But this
is not what crystallography tells us.)

◎ Crystal structure = Lattice + basis

． Lattice : arrangement of lattice points
Basis
． Lattice point≡ basis≡ repeated unit(of atomic
arrangement) 4
The Basis(or basic group or lattice point)
A crystal contains a structural unit, called the basis (or motif),that
is repeated in three dimensions to generate the crystal structure.
The environment of each repeated unit is the same throughout the
crystal (neglecting surface effects).
The basis may be a single atom or molecule, or it may be a small
group of atoms, molecules, or ions.
Each repeated basis group has the same structure and the same
spatial orientation as every other one in the crystal.
The basis must have the same stoichiometric composition as the
crystal. f24.3
(All crystalline solids have ordered structures
They all have repeated units (structure units). ) 5
Many metals, for example: Al, Cu, Au, Pb, Ni, Pt and Ag, the basis
is a single atom. Some other metals, for example: Zn, the basis
consists of two Zn atoms. For diamond the basis is two C atoms;
the two atoms of the basis are each surrounded tetrahedrally
by four carbons, but the four bonds at one basis atom differ in
orientation from those at the other atom. For NaCl, the basis
consists of one Na+ ion and one Cl- ion. For CO2, the basis is four
CO2 molecules. For benzene, the basis is four C6H6 molecule.
f13.2 f24.15 f3.7-2
The Space Lattice. F3.1 f3.7-3 f3.7-4
If we place a single point at the same location in each repeated
basis group, the set of points obtained forms the (space ) lattice of
the crystal. f24.3
f302 111

6
The Unit Cell.
The space lattice of a crystal can be divided into identical
parallelepipeds by joining the lattice points with straight lines. (A
parallelepiped Is a six-sided geometrical solid whose faces are all
parallelograms.) each such parallelepiped is called a unit cell.

In crystallography, one chooses the unit cell so that it has the

maximum symmetry and has the smallest volume consistent with the
maximum symmetry; the maximum-symmetry requirement implies
the maximum number of perpendicular unit-cell edges. f24.4

In two dimensions, a unit cell is a parallelogram with sides of

length a and b and angle  between these sides. In three dimensions,
a unit cell is a parallelepiped with edges of length a 、 b 、 c and
angles α 、 β 、 γ where α is the angle between edges b and c ,
etc. F3.4 7
Crystal System
In 1848 Bravais showed that there are 14 different kinds of
lattices in three dimensions. The 14 Bravais lattices are grouped
into seven crystal systems, based on unit-cell symmetry. f24.5

Unit cells that have lattice points only at their corners are called
primitive (or simple) unit cells. Seven of the Bravais lattices have
primitive (p or S) unit cells. f24.5 T3.2
A body-centered lattice (denoted by the letter I or B, from the
German Innenzen-trierte) has a lattice point within the unit cell as
well as at each corner of the unit cell.
A face-centered (F) lattice has a lattice point on each of the six
unit-cell faces as well as at the corners.

8
 The Letter c denotes an end-centered lattice with a lattice point
on each of the two faces bounded by edges of lengths a and b.
Number of lattice point per unit cell.
Each point at a unit-cell corner is shared among eight adjacent
unit cells in the lattice: four at the same level and four immediately
above or below. Therefore a primitive unit cell has 8/8 =1 lattice
point and 1 basis group per unit cell. Each point on a unit-cell face
is shared between two unit cells, so an F unit cell has 8/8+6/2 =4
lattice points and 4 basis groups per unit cell. F302 F301

9
 4.3 CRYSTALS WITH ONE ATOM PER LATTICE SITE
AND HEXAGONAL CRYSTALS (usually metals)
Lattice point → basis
(crystal structure:
basis
7 crystal systems, Lattice
14 Bravais lattices) (arrangement of Arrangement of Atoms
lattice points) (actual materials)

Lattice point ← basis

◎ Number of atoms per basis (lattice point or lattice site)

4.3.1 Body-centered Cubic Crystal F302 f 3-2 f3.3-2

◎ body-centered cubic ( BCCBCC ) structure :e.g., tungsten
chromium , iron , molybdenum , and vanadium.
◎ a0 3/2=2r , or a0 (BCC)=4r/ 3 (3.3)

(a0 a , r R) CN

◎ The total number of atoms per unit cell is two

{[8× (1/8)]+(1× 1)} ; CN(BCC)=8 10
4.3.2 Face-centered Cubic Crystals F301 f3.3-3
◎ Face-centered Cubic ( FCC ) structure : e.g. , aluminum ,
calcium , cooper , gold , lead , platinum , and silver.
( cubic close – packed structure )
◎ ao(FCC)=4r/ 2 (3.1)
◎ There are four atoms per FCC cell {[8× (1/8)]+[(6×
1/2)]} , CN(FCC)=12 F303 f3.3-4

4.3.3 Hexagonal Close-packed structure Hexa

◎ Hexagonal close- HCP ) structure : e.g. ,

close-packed ( HCP
packed
cadmium , cobalt , magnesium , titanium , yttrium ,
12
f 3.14
and zinc.
 ◎ The total number of atoms in the large HCP cell is six
{[12× (1/6)]+[2× (1/2)]+(3× 1)} , CN(HCP)=12.
◎ ao=2r
◎ c=(4/ 6)
a =1.633 a =3.266r
o
o (3.3-3)
◎ V uc (large HCP)=( 3 2 ) ao 2C (3.3-4)

4.4 MILLER INDICES

4.4.1 Coordinates of Points F305
◎ Align the three coordinate axes with the edges of the
unit cell , with the origin at a corner of the cell.
E3.4 E3.5
17
4.4.2 Indices of Directions F306
◎ Miller indices for directions are obtained using the
following procedure:
※ Method one
(1) Determine the coordinates of two points that lie in
the direction of interest ： h1, k1, l1, and h2, k2, l2.
(2) h = h2 － h1; k = k2 － k1 ; l = l2 － l1 .
(3) Clear fractions from the differences - h, k , and
l , to give indices in lowest integer values nh , nk ,
nl. • h ： k ： l determines the direction
• h ： k ： l = nh ： nk ： nl
18
(4) [nh’ nk’ nl’]
(5) For negative integers , as an example , if h<0 , we
write [h k l]. E3.4-2
※ Method two
(1) A vector of convenient length is positioned such that
it passes through the origin of the coordinate system.
(2) The length of the vector projection are measured in
terms of the unit cell dimensions a , b , c.
(3) These numbers are reduced to the smallest integer
values. E3.6 E3.7
19
 (4) The three indices , are enclosed in square brackets ,
thus : [uvw].
◎ Families of directions : a cubic crystal as an example
all the edges are equivalent, all the face diagonals are
equivalent , all the body diagonals are equivalent , thus
families of direction : <100> , <110> , <111>.
<100>: [100], [ī00], [010], [0 ī 0], [001] and [00 ī]
<110>: [110], [101], [011], [ ī10], [ī01], [0ī1],[1ī0],
[10ī], [01ī], [īī0], [ī0ī] and [0īī]
<111>:
A 20
 • Directions in cubic crystals having the same indices without
regard to order or sign (e.g., [123], [213], and [123]), are
equivalent.
• Only arrangement of atoms (or ions) are important for
directions.
• Directions (with different indices) having similar atomic
arrangement are equivalent.

◎ The angle between direction. E3.4-4

` ` `
u v w
If A= ui + vj + wk and B= i+ j+ k , then
A·B= A B cos (3.4-1)
1
1
 = cos {(uu +vv +ww )/[( u + v + w )
` ` ` 2 `2
2 `2 `2 1
2 2
w
( u +v + ) 2
]}
(3.4-2)
21
 Z

(h2,k2, l2)
b Y
a (h1,k1, l1)

X
b=y2-y1 h=h2-h1
a=x2-x1 k=k2-k1
l=l2-l1

What is projection?
What is the projection of OC on X axis? On Y axis?
What is the projection of AB on X axis? On Y axis? 22
For a cubic crystal

<100>: [100], [ī00], [010], [0 ī 0], [001] and [00 ī]

How many edges does a cubic unit cell have?

The same: Each set of the four parallel edges are the same and
can only be counted as one member of the family. But
its opposite direction is counted as another family
member.

Equivalent: [100], [ī00], [010], [0 ī 0], [001] and [00 ī]

23
4.4.3 Indices of Planes
◎ Miller indices for planes :
1. Identify the coordinates at which the plane intersects
the x , y , and z axes
2. Take the reciprocal of the intercepts
3. Clear fractions
4.Cite planes in parentheses : (h k l )

E3.4-6 E3.9 E3.10 E3.4-7 F3.9

24
◎ Families of planes , {h k l} : all planes in a family are
equivalent in that they contain exactly the same
arrangement of atoms . In cube systems, for example ,
the members of {1 0 0} are (1 0 0) , (0 1 0) , (0 0 1) , and

their negatives (ī 0 0) , (0 ī 0) , and (0 0 ī);

and {111}: (ī ī ī), (ī 11), (1 ī ī), (11 ī), (ī ī1), (ī 1 ī),
(1 ī 1), and (111),

◎ Only arrangement of atoms are important for planes.

25
※ Several important features and relationships :
1. Planes and their negatives are equivalent . The
negatives of directions are not equivalent but
rather point in opposite directions.
2. Planes are not necessarily equivalent to their
multiples . Directions are invariant to a multiplier.
3. In cubic crystals , a plane and a direction with the
same indices are orthogonal.
F 19.9

26
4.4.4 Indices in the Hexagonal System
Miller-Bravais coordinate system :
F3.3 f3.16

Utilizing a four-axis, or Miller-Bravais coordinate system

The three a1, a2, and a3 axes are within a single plane
(called the basal plane). The z axis is perpendicular to
this basal plane.
Unit Cell
◎ Direction
Four indices, as [uvtw]; the first three indices pertain to
projections along the respective a1, a2, and a3 axes in the
basal plane.

27
along a1 : projections: 1, -½, -½, 0  [2ī ī0]

28
Conversion from the three-index system to the four-index system,
n
uvw  uvtw u 2u   v (3.6a)
3

n
v  2v  u  (3.6b)
3
t  u  v  (3.6c)

w  nw (3.6d) E3.8

n is a factor that may be required to reduce u, v, t, and w to the

smallest integers.
29
◎ Planes: four-index (hkil) scheme,

Example

Basal planes: (0001)

intercepts:

a 1,
∞ ；∞a2, ∞
； a 3, ；

C, 1.

h = 0, k = 0, i = 0, l = 1

30
Prism plane(ABCD): (10ī0)
intercepts: a1,+1; a2,; a3,-1; C,.
h = 1, k = 0, i = -1, l = 0
prism plane (DCGH): (01ī0)
family of prism planes: {10ī0}

hkl   hkil 
i  h  k  (3.7)
E3.11
The three h, k, and l indices are identical for both indexing
systems.
31
 4.5 DENSITIES AND PACKING FACTORS
OF CRYSTALLINE STRUCTURES
density
Direction: Atomic arrangement material properties
=> linear density
density
Plane : Atomic arrangement material properties
=> planar density
density
Volume: Atomic arrangement material properties
=> volumetric density

4.5.1 Linear Density

◎ linear density (  L or LD) is the number of atoms
per unit length along a direction.
( Number of atoms along direction within one unit cell )
 L = (Length of the line contained within one unit cell)
( L  LD )
32
 As an example , consider the [1 1 0] direction in an FCC
crystal , the number of atoms is 2 [i .e . , 2×(1/2)+(1×1)] ,
the length of the line is 4r.  L for [1 1 0] in FCC is 1/(2r).
F312

◎ The <110> family of directions has special significance

in the FCC structure , since these are the directions in
which atoms are in direct contact. As such , <110>
directions have the highest  L of any directions in the
FCC system . In any crystal system the directions with
the highest
 L are termed the close-packed directions.

33
4.5.2 Planar Density
◎ Planar density (  p or PD) is the number of atoms
per unit area on a plane of interest.

p =
(Number of atoms on a plane within one unit cell)
(Area of the Plane contained within one unit cell)

◎ Consider the planar density of the (1 1 1) plane in a FCC

crystal . The length of the side of each triangle is 4r .
The r2 3
area is 60
4 o
o
; the three atoms at the corners , 1/6
360
(i . e ., ) the three atoms along the edges , fraction
of ½ . The total number of2 atoms on the plane is two .
3r
( density
Planar p  PD )is 1/(2 ). f3.5-2 34
◎ This value of  p represents the highest possible planar
density for spherical atoms , any plane in any crystal
system that has a value of  p =1/(2
2
3r ) will be
referred to as a close-packed plane.
◎ For any specific crystal system , a family of planes
with a maximum  p value are referred to as highest
-density planes.

35
4.5.3 Volumetric Density
◎ Volumetric density (  or VD ) is the number of atoms
v

per unit volume.

◎  for FCC is 4/(16
v
2r
3
)=1/(4 2r
3
) . This is the highest
volumetric density possible for spherical atoms . This
type of structure will be referred to as close-packed
structures . HCP crystals also have  = 1/(4 2 r 3
)
v

f3.3-3

36
4.5.4 Atomic Packing Factors and Coordination
Numbers
◎ The ratio of the volume occupied by the atoms to the
total available volume is defined to be the atomic
packing factor (APF)
(Volume of atoms in the unit cell)
APF = (3.2)
(Volume of the unit cell)

◎ APF(SC)=0.52 , APF(BCC)=0.68 , and APF(FCC)=

APF(HCP)=0.74. F3.2
◎ CN=12 for APF=0.74.
37
4.5.5 Theoretical Density ,  th
(ordinary definition,  = mass/ volume)
A knowledge of the crystal structure of a metallic solid
permits computation of its theoretical density  through the
relationship nA
 th 
Vc N A (3.5)
where
n = number of atoms associated with each unit cell F 4.12
A = atomic weight
Vc = volume of the unit cell
NA = Avogadro’s number (6.023 × 1023 atoms/mol)
 measured  th 38
4.5.6 Close-Packed Structures
◎ Both FCC and HCP structures are characterized by an
APF 74% , a CN of 12 , the close-packed planes , the
close-packed directions and the difference is the
arrangement of their close-packed planes.
◎ FCC ： cubic close-packed structure
◎ HCP ： hexagonal close-packed structure
f3.3-4 f3.5-3 f3.5-4

117 112 67 122

f 3.13 f 3.14 f 3.15 39

4.8 CRYSTALLINE AND NONCRYSTALLINE
MATERIALS

Solids: F3.22 166

crystalline : with long rang order (of course , also with

short rang order)
semicrystalline : with some long range order
amorphous : with short range order only

40
Crystalline solid: f4-2.2 f4-2.3 f3-18
FACET
(1)sharp melting point
(2)well-developed faces and a characteristic shape
(3)Characteristic X-ray diffraction pattern (peaks)
shows a regular , ordered structure composed of
identical repeating units having the units having the
same orientation throughout the crystal (with short
and long-range order)
motion

41
Amorphous solid: f6-2.1
(1)When heated , it softens and melts over a wide
temperature range
(glass-transition temperature)
(2)does not have a characteristic crystal shape
(3)No characteristic X-ray diffraction peaks.
Semicrystalline solids:
(1)crystalline polymers
(2)Liquid crystal : fluids that show some degree of
long-range order. f24.8

42
4.9 SINGLE CRYSTALS AND POLYCRYSTALLINE
MATERIALS: Microstructure
◎Crystal: Micro-str
ucture
• Single crystal
The whole piece (or body) of material has the same crystal
structure and orientation.
• Polycrystalline
made up of a number of crystals (small single)with identical
structures but different orientations.
※ grains : small (single)crystals 0.5 – 50  m. F3.17 f3.9-1

※Grain boundaries : internal surfaces of finite thickness where

crystals of different orientations meet. f4.12 43
◎Many ceramic materials are in the form of polycrystalline
solids.
◎Noncrystalline structure (amorphous) can be formed by
cooling a material sufficiently quickly (quenching) that crystal
formation does not occur.
◎Polymers are usually either semicrystalline or amorphous.
◎Few materials are used in single-crystal form, single-crystal
materials have no grain boundaries, so they offer unique
mechanical, optical, and electrical properties.
◎Amorphous materials do not have grain boundaries either.
＊ Grain boundaries can scatter photons (light), phonons (heat)
and electrons, rendering the materials to be less transparent,
44

less thermally and electrically conductive.

Examples :
1. Single-crystal quartz (SiO2) and perovskites are used as

transducers, such as : telephone receivers, and

phonograph cartridges.
2. Single-crystal germanium and silicon :
microelectronics industry.
3. Single-crystal nickel alloys : turbine blades.
2 3

4. Sapphire (A1 O ) and diamond (C) single crystals :

precious stones.
45
 4.10 POLYMORPHISM

◎ Materials whose crystal structures change from one unit

cell to another at specific temperatures are termed polymorphic.
Iron, for example,
912 ℃
Fe (BCC, room temp) Fe ( FCC at 912 ℃)
1394 ℃
(BCC , 1394 ℃)
Other examples : Silica (SiO2), carbon, alumina (A12O3), and
titania (TiO2)
◎ Property changes accompany structural changes : e.g., volume,
density, may increase or decrease. 46
◎ Many brittle materials cannot withstand the internal forces that
develop as a result of these volume changes. These materials fail
at the transformation temperature. An example is zirconia,
ZrO2 : cooling, ~ 1000 ℃ p.48
Tetragonal monoclinic crack !!
f3.10-1
◎ Another polymorphic materials is carbon.
1. The diamond structure has a 3-D tetrahedral network of
covalent bonds with CN = 4, the highest melting temperature of
any of the elements.
2. Graphite has a hexagonal two-dimensional layered
structure. The bonds within each layer are covalent bonds, but the
interlayer are weak secondary bonds which are easily broken
giving graphite its excellent lubricating properties. 47
 4.11 ANISOTROPY

Isotropic : properties of a material are independent of direction :

Anisotropic : properties of a material depend on direction :
◎ properties, such as modulus of elasticity and coefficient of
thermal expansion can be estimated from the bond-energy
curve. But the curve is derived in the close-packed directions.
The separation distance between atoms in any direction other
than the close packed directions will be greater than  .
◎ Single crystals exhibit some degree of anisotropy.
(because the atomic packing depends on direction.)
F2.8 f0103 48
◎ An example of a highly anisotrophic crystalline material is
graphite. Its coefficient of thermal expansion along the c axis
is more than 25 times greater than that in any direction
parallel to the basal planes. f3.10-1

◎ While single crystals are anisotrophic, most polycrystals are

nearly isotropic on the macroscopic scale. F3.17 F4.12

◎ Anisotropic can also occur on a larger structural scale

examples : wood, steel-reinforced concrete, carbon-fiber-
reinforced epoxy, oriented polymers.
49
 4.12 DETERMINATION OF CRYSTAL STRUCTURES
44
X-Ray Diffraction f3-17 f24.17 f3.15 F3.19
45
X-Ray Diffraction signal is originally generated by interaction
between X-ray photons and electrons in the material.
Figure 24.17b shows the x-ray beam incident at angle  to one of the
(210) planes. Most of the x-ray photons will pass through this plane with
no change in direction, but a small fraction will collide with electrons in
the atoms of this plane and will be scattered, that is, will undergo a change
in direction. The x-ray photons are scattered in all directions.
The zero-path-difference condition gives 0 = pq (cos  - cos  ), so
 =  . Thus, waves scattered from a plane of lattice points at an angle equal
to the angle of incidence are in phase with one another. Waves scattered at
other angles will generally be out phase with one another and will give
destructive interference.
50
diffraction 175
The single plane of lattice points acts as a “mirror” and 32
“reflects” a small fraction of the incident x-rays.
The x-ray beam will penetrate the crystal to a depth of
millions of layers of planes. For constructive interference
between x-rays scattered by the entire set of planes, the waves
constructively scattered (“reflected”) by two adjacent planes
must have a path difference of an integral number of x-ray
wavelengths, λ ： The Bragg equation
2d hkl sin  = n  n = 1,2,3,……. f3.12-2
The Bragg equation is the fundamental equation of x-ray
crystallography.
dhkl(or d, or dnhnknl): distance between two adjacent planes
( (hkl) or (nhnknl) ), or interplanar spacing or d-spacing.
n=1 1st order diffraction
51
n=2 2nd order diffraction
 F19.6 F21-3 F 19.9

2dhkl sinθ= nλ XRD-1

XRD-2

  
52
Only planes with low indices generate XRD peaks dhkl/n=dnh,nk,nl
      

interplanar distance d-spacing

  
     
  
53
 For the special case that the unit cell axes are mutually
perpendicular (i.e., for orthorhombic, tetragonal, and cubic unit
cells), i.e., α=β=γ=90°

1 h 2 k 2 l 2 1/ 2
= ( 2  2  2) f19.9
dh , k , l a b c

1 n 2 h 2 n 2 k 2 n 2l 2 1/ 2 dh , k , l
 ( 2  2  2 ) `` dnh, nk, nl 
dnh , nk , nl a b c n

2d hkl sin  = n 
dn , k , l
2( ) sin     2dnh, nk , nl sin   
n 54
For cubic unit cells: a = b = c
2dh , k , l sin    (for n = 1)
a
dhkl 
h 2  k 2  l 2 Interplanar Spacing (d , , ) of Cubic Lattice
h k l

2a
sin   
h2  k 2  l 2
(1) Simple cubic
For primitive
a, a / 2,cubic
a /crystals
3, a /dhkl4,maya /have
5, the
a /following
6, a / values:
8, etc.,

(100) (110) (111) (200) (120) (112) (220)

 θ1 θ2 θ3 θ4 θ5 θ6 θ7 55
(2) Face-centered cubic (FCC)
The diffraction patterns of face-centered crystals show an
absence of all reflections for which the indices hkl are not
all even or all odd.

Hence, only the reflections 111, 200, 311, 222, 400, 331,
420, etc., are observed. Consequently, the spacing
corresponding to the hkl reflections that may appear on a
powder diagram of a face-centered cubic crystal are:
a / 3 , a / 4 , a / 8 , a / 11, a / 12 , a / 16 , a / 19 , a / 20 , etc.,
f19.10

56
(3) Body-centered cubic (BCC)
An examination of the diffraction data for body
ecentered crystals shows that hkl reflections for
which the sum h+k+l is odd are not observed.
Accordingly, the interplanar spacing found for a
body-centered cubic lattice are
a / 2 , a / 4 , a / 6 , a / 8 , etc.,which are the distances
between the (110), (200), (211), and (220)
planes.

Other XRD Phenomena and Techniques

F3.20 f19.8 f19.11 F3.6 f3.22 f3.12 f3.13

f3.12-3 F3.21 57
 The locations of the spots in the diffraction pattern depend
only on the nature of the spae lattice and the lengths and angles
of the unit cell and that the intensities of the spots depend on
the kinds of atoms and the locations of atoms (interactomics
distances) within the basis of the crystal structure.
Analysis of the locations of the diffraction spots gives the space
lattice and the lengths and angles of the unit cell. The unit-cell
content z is calculated using the know crystal density. Analysis
of the electron probability density (x, y, z) as a function of
position in the unit cell. From contours of , the locations of
the nuclei are obvious, and bond lengths and angles can be
found.

58
The Use of x-Ray Diffraction
(1) Identify the crystalline structure of a sample with
known chemical composition.
Arrangement and the spacing of atoms in crystalline materials
(2) Identify the compound (chemical composition) and
crystalline structure of an unknown sample.
x-Ray diffraction also provides compounds, an x-ray
diffraction pattern is unique for each crystalline substance.
Thus, if an exact match can be found between the pattern of
unknown and an standard sample, chemical identity can be
assumed.
(3) Estimate the relative amounts of different phases
Quantitative information concerning a crystalline compound in
a mixture, for example, the percentage of graphite in a 59

graphite charcoal mixture.

 Types of motion and energy
(sensitive to T : motion and energy T )
(unit of liquid solid
motion or gas
particles single (di- or many
under atoms atomic)
consideration) molecules
Translation ○ ○ ○ ×
(atoms or
molecules)
Rotation × ○ ○ ×
(atoms)
Vibration × ○ ○ ○
(atoms or
bondings)
Electronic ○ ○ ○ ○
(electrons)

170
34

171
 Structure and properties of Materials
shape
raw materials synthesis sintering fabrication Material
forming
products

Processing techniques and

operation conditions Structure Properties
( 結構 ) ( 性質 )
Structure of Materials ：
atomic scale structure (~0.1nm)
types of atoms, types of bondings, atomic packing structure
(coordination number)
小 scale 大
小 Crystalline structure (>~10nm)
back
scale

Microscopic (scale) structure (~0.1µm) ： SEM

大 172
Basis: M Basis:

Lattice(or space lattice)

(arrangement of lattice
point: )
Repeated unit≡basis≡lattice
point
A. Metallic Bonding
 CN is primarily determined by geometric arrangement
(consideration)
＊ all atoms ： spherical , same size.
＊ CN ： 8-12.
＊ usually described by crystalline structure.

F3.1 F3.2 T3.1

175
 d-spacing(or
XRD
interplanar distance)
different Bragg Eg.
a atoms sets
particular of
material crystalline crystalline
structure planes
(lattice) (a, b, c, (h, k, l) λ=constant
α, β, γ)
standard
XRD patterns
relative Or data
intensity of or software
peaks

176
 atomic crystalline micro-stucture
scale structure
structure

single same same different

crystal no grains,
no grain boundaries
polycrystalline same same different
made up of grains and grain
boundaries

Micro-
structure 178
 Basis(group) straight lines a,b,c,
Lattice point (Space)Lattice Unit Cell α,β,γ

Crystal
Actual Systems
Materials Bravais
(arrangement Lattices
of atoms) (Type of lattice
(arrangement
lattice points of lattice points

complexity basis(group)
Number of atoms (or ions)in the basis.
difficulty
 atoms

lattice

a,b,c,
Basis(group) α,β,γ
straight lines
Lattice point (Space)Lattice Unit Cell
Actual Crystal Systems
Materials Bravais Lattices
(arrangement (Type of lattice)
of atoms)
(arrangement
lattice points of lattice points)

complexity basis(group)
Number of atoms (or ions)in the basis.
difficulty