WACHEMO UNIVERSITY

College of Engineering and Technology

Department of Electro-Mechanical Engineering

Material Science and Engineering

Compiled by Dagim Asegid ([Link]. MEng.), Sept. 2023

Chapter Two

Crystal Structure’s
 Chapter Two
2.1. Fundamental Concepts

 Solid materials may be classified according to the regularity with which atoms or ions are
arranged with respect to one another up on solidification.
Solid Materials

Crystalline Amorphous
 Chapter Two
2.1. Fundamental Concepts

 A crystalline material is one in which the atoms are situated in a repeating or periodic array
over large atomic distances.

 Upon solidification, the atoms will position themselves in a repetitive

three-dimensional pattern, in which each atom is bonded to its nearest-
 Chapter Two
2.1. Fundamental Concepts

 All metals, many ceramic materials, and certain polymers form crystalline structures under
normal solidification conditions.

 A non-crystalline solids lack a systematic and regular arrangement of atoms over relatively
large atomic distances. Sometimes such materials are also called amorphous.
 Chapter Two
2.1. Fundamental Concepts

 Amorphous materials, are characterized by atomic or molecular structures that are

 relatively complex and

 become ordered only with some difficulty.

 Furthermore, rapidly cooling through the freezing temperature favors the

formation of a non-crystalline solid, since little time is allowed for the
ordering process.
 Chapter Two
2.1. Fundamental Concepts

 When describing crystalline structures, atoms (or ions) are thought of as being solid spheres
having well-defined diameters.
 Chapter Two
2.1. Fundamental Concepts

 Sometimes the term lattice is used in the context of crystal structures; it is a three-
dimensional array of points coinciding with atom positions (or sphere centers).

 In describing crystal structures, it is often convenient to subdivide the structure into small
repeat entities called unit cells. Unit cells for most crystal structures are parallelepipeds or
prisms having three sets of parallel faces.
 Chapter Two
2.1. Fundamental Concepts

 Thus, the unit cell is;

 the basic structural unit or building block of the crystal structure and

 defines the crystal structure by virtue of its geometry and the atom positions within.
 Chapter Two
2.2. Crystal Structure of Metals

Crystal Structures of Metals

Face Centered Cubic FCC

Body Centered Cubic FCC

Hexagonal Closed Pack HCP
 Chapter Two
2.2. Crystal Structure of Metals

2.2.1. Face Centered Cubic (FCC)

 A crystal structure having a unit cell geometry, with atoms located at each of the corners and
the centers of all the cube faces.

 Examples of metals that have FCC structure includes:

 copper,

 aluminum,

 silver, and

 gold
 Chapter Two
2.2. Crystal Structure of Metals

2.2.1. Face Centered Cubic (FCC)

 Has a cube edge length of

 Each corner atom is shared among eight unit cells.

 Whereas a face-centered atom belongs to only two.

 Has a total of 4 atoms that form the unit cell.

 Has a coordination number of 12.

 Has a APF (Atomic Packing Factor) of 0.74

 Chapter Two
2.2. Crystal Structure of Metals

2.2.2. Body Centered Cubic (BCC)

 Metallic crystal structure having a cubic unit cell with atoms located at all eight corners and a
single atom at the cube center.

 Examples of metals that have BCC structure includes:

 Chromium

 Iron,

 Tungsten
 Chapter Two
2.2. Crystal Structure of Metals

2.2.2. Body Centered Cubic (BCC)

 Has a cube edge length of

 Each corner atom is shared among eight unit cells.

 Whereas a body-centered atom belongs to only one.

 Has a total of 2 atoms that form the unit cell.

 Has a coordination number of 8.

 Has a APF (Atomic Packing Factor) of 0.64

 Chapter Two
2.2. Crystal Structure of Metals

2.2.3. Hexagonal Closed Pack (HCP)

 Not all metals have unit cells with cubic symmetry; the final common metallic crystal
structure to be discussed has a unit cell that is hexagonal.

 Examples of metals that have HCP structure includes:

 Cadmium

 Magnesium

 Titanium, and

 Zinc
 Chapter Two
2.2. Crystal Structure of Metals

2.2.3. Hexagonal Closed Pack (HCP)

 The top and bottom faces of the unit cell consist of six atoms that form regular hexagons and
surround a single atom in the center.

 Another plane that provides three additional atoms to the unit cell is situated between the top
and bottom planes.
 Chapter Two
2.2. Crystal Structure of Metals
2.2.3. Hexagonal Closed Pack (HCP)

 The equivalent of six atoms is contained in each unit cell; one-sixth of each of the 12 top and
bottom face corner atoms, one-half of each of the 2 center face atoms, and all 3 midplane
interior atoms.

 The coordination number and the atomic packing factor for the HCP crystal structure are the
same as for FCC: 12 and 0.74 respectively.
 Chapter Two
2.3. Density Computations

 A knowledge of the crystal structure of a metallic solid permits computation of its theoretical
density through the relationship.
 Chapter Two
2.3. Density Computations
 Chapter Two
2.4. Polymorphism and Allotropy

 Some metals, as well as nonmetals, may have more than one crystal structure, a phenomenon
known as polymorphism.

 When found in elemental solids, the condition is often termed allotropy.

 The prevailing crystal structure depends on both the temperature and the external pressure.

 Pure iron and carbon form polymorphism and allotropy respectively.

 Chapter Two
2.4. Polymorphism and Allotropy

 The allotropes of carbon are: graphite and diamond.

 Graphite is the stable polymorph at ambient conditions, whereas diamond is formed at

extremely high pressures.

 Pure iron has a BCC crystal structure at room temperature, which changes to FCC iron at
912˚C (1674 ˚F).
 Chapter Two
2.5. Crystallographic Points, Directions, and Planes

2.5.1. Point Coordinates

 The position of any point located within a unit cell may be specified in terms of its
coordinates as fractional multiples of the unit cell edge lengths (i.e., in terms of a, b, and c).
 Chapter Two
2.5. Crystallographic Points, Directions, and Planes

2.5.1. Point Coordinates

 We can specify the position of P in terms of the generalized coordinates q, r, and s where:

q is some fractional length of a along the x axis

r is some fractional length of b along the y axis

S is some fractional length of c in the z axis

 Chapter Two
2.5. Crystallographic Points, Directions, and Planes

2.5.1. Point Coordinates

 Thus, the position of P is designated using coordinates q r s with values that are less than or
equal to unity.

 Furthermore, we have chosen not to separate these coordinates by commas or any other
punctuation marks (which is the normal convention).
 Chapter Two
2.5. Crystallographic Points, Directions, and Planes

2.5.1. Point Coordinates

 Chapter Two
2.5. Crystallographic Points, Directions, and Planes

2.5.2. Crystallographic Direction

 A crystallographic direction is defined as a line between two points, or a vector.

 Chapter Two
2.5. Crystallographic Points, Directions, and Planes

2.5.2. Crystallographic Direction

The following steps are utilized in the determination of the three directional indices:

1. A vector of convenient length is positioned such that it passes through the origin of the coordinate system. Any vector may
be translated throughout the crystal lattice without alteration, if parallelism is maintained.

2. The length of the vector projection on each of the three axes is determined; these are measured in terms of the unit cell
dimensions a, b, and c.

3. These three numbers are multiplied or divided by a common factor to reduce them to the smallest integer values.

4. The three indices, not separated by commas, are enclosed in square brackets, thus: [uvw]. The u, v, and w integers
correspond to the reduced projections along the x, y, and z axes, respectively.
 Chapter Two
2.5. Crystallographic Points, Directions, and Planes

2.5.2. Crystallographic Direction

 For each of the three axes, there will exist both positive and negative coordinates. Thus
negative indices are also possible, which are represented by a bar over the appropriate index.

 For example, the direction would have a component in the -y direction.

 Changing the signs of all indices produces an antiparallel direction; that is, is directly
opposite to .
 Chapter Two
2.5. Crystallographic Points, Directions, and Planes

2.5.2. Crystallographic Direction

 Chapter Two
2.5. Crystallographic Points, Directions, and Planes

2.5.2. Crystallographic Direction

 Chapter Two
2.5. Crystallographic Points, Directions, and Planes

2.5.2. Crystallographic Direction

 Chapter Two
2.5. Crystallographic Points, Directions, and Planes

2.5.2. Crystallographic Direction

 Chapter Two
2.5. Crystallographic Points, Directions, and Planes

2.5.2. Crystallographic Direction

 Chapter Two
2.5. Crystallographic Points, Directions, and Planes

2.5.2. Crystallographic Direction

 Chapter Two
2.5. Crystallographic Points, Directions, and Planes

2.5.3. Crystallographic Plane

 The orientations of planes for a crystal structure are represented in a similar manner.

 Crystallographic planes are specified by three Miller indices as (hkl).

 Any two planes parallel to each other are equivalent and have identical indices.
 Chapter Two
2.5.3. Crystallographic Plane
 The procedure employed in determination of the h, k, and l index numbers is as follows:

1. If the plane passes through the selected origin, either another parallel plane must be constructed within the unit cell by an
appropriate translation, or a new origin must be established at the corner of another unit cell.

2. At this point the crystallographic plane either intersects or parallels each of the three axes; the length of the planar intercept
for each axis is determined in terms of the lattice parameters a, b, and c.

3. The reciprocals of these numbers are taken. A plane that parallels an axis may be considered to have an infinite intercept,
and, therefore, a zero index.

4. If necessary, these three numbers are changed to the set of smallest integers by multiplication or division by a common
factor.

5. Finally, the integer indices, not separated by commas, are enclosed within parentheses, thus: (hkl).
 Chapter Two
2.5. Crystallographic Points, Directions, and Planes

2.5.3. Crystallographic Plane

 An intercept on the negative side of the origin is indicated by a bar or minus sign positioned
over the appropriate index.

 Furthermore, reversing the directions of all indices specifies another plane parallel to, on the
opposite side of and equidistant from, the origin.
 Chapter Two
2.5. Crystallographic Points, Directions, and Planes

2.5.3. Crystallographic Plane

 Chapter Two
2.5. Crystallographic Points, Directions, and Planes

2.5.3. Crystallographic Plane

 Chapter Two
2.5. Crystallographic Points, Directions, and Planes

2.5.3. Crystallographic Plane

 Chapter Two
2.5. Crystallographic Points, Directions, and Planes

2.5.3. Crystallographic Plane

 Chapter Two
2.5. Crystallographic Points, Directions, and Planes

2.5.3. Crystallographic Plane

Chapter Two

End Of Chapter Two Part 1

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