Crystallography 2

@Dr.
SS Unit-I: Crystallography
Basis and Crystal Structure: It should be noted that a lattice of points is an imaginary concept
and therefore it is essential to distinguish a lattice from a crystal. A crystal structure is formed
only when a group of atoms or molecules is attached identically to each lattice point. This group
of atoms or molecules is called basis. The basis is identical in composition, arrangement and
orientation which is repeated periodically in space to form the crystal structure. Therefore
Lattice + Basis = Crystal Structure
Unit Cell: A unit cell is the smallest portion of a crystal lattice that shows the three-dimensional
pattern of the entire crystal. A crystal can be thought of as the same unit cell repeated over and
over in three dimensions. A unit cell is the smallest repeating portion of a crystal lattice.
The Figure below illustrates the relationship of a unit cell to the entire crystal lattice.
The choice of unit cell is not unique. According to the requirement of the case, either a
primitive or a non-primitive cell can be selected as a unit cell. The parallelepiped defined by
translations a, b and c as the shortest possible sides along three crystallographic axes x, y, z is
called primitive cell. A primitive cell is the minimum volume unit cell and has only one lattice
point in it. The volume of primitive cell is given by
V = │a.(b x c) │
Sometimes it is more convenient to choose non primitive unit cell depending upon the
symmetry of crystal. These cells contain more than one lattice point per unit cell.
@Dr. SS Unit-I: Crystallography
Wigner Seitz Unit Cell: The Wigner Seitz unit cell about a lattice point is the region of space
that is closer to that particular point than to any other lattice point. When this cell is translated
through all lattice vectors, the space will just be filled, leaving no empty space in between, nor
there is any overlapping. The method of construction of Wigner Seitz unit cell is same for both
two and three dimensional lattices. The Wigner-Seitz cell is a polyhedron obtained by connecting
a lattice point to all other lattice points and drawing the planes perpendicular to these connecting
lines and passing through their midpoints. The polyhedron enclosed by these planes is the
Wigner-Seitz cell. The cell thus obtained is a primitive cell and it is possible to fill up the whole
space by translation of that cell.
Wigner Seitz unit cell for a two dimensional oblique lattice is found to be hexagon.
Symmetry in Crystals: Crystals have an ordered internal arrangement of atoms. This ordered
arrangement shows symmetry, i.e. the atoms are arranged in a symmetrical fashion on a three
dimensional network. When a crystal forms in an environment where there are no obstruction
to its growth, crystal faces form as smooth planar boundaries that make up the surface of the
crystal. These crystal faces reflect the ordered internal arrangement of atoms and thus reflect the
symmetry of the crystal lattice. To see this, let's first imagine a small 2 dimensional crystal
composed of atoms in an ordered internal arrangement as shown below.
If we rotate the simple crystals by 90o notice that the lattice and crystal look exactly the same as
what we started with. Rotate it another 90o and again its the same. Another 90o rotation again
results in an identical crystal, and another 90o rotation returns the crystal to its original
orientation. Thus, in one 360o rotation, the crystal has repeated itself, or looks identical 4
times. We thus say that this object has 4-fold rotational symmetry.
Symmetry Operation and Elements: Symmetry operation is an operation that can be

performed either physically or imaginatively that results in no change in the appearance of an
object. Again it is emphasized that in crystals, the symmetry is internal, that is it is an ordered
geometrical arrangement of atoms and molecules on the crystal lattice. But, since the internal
@Dr. SS Unit-I: Crystallography
symmetry is reflected in the external form of perfect crystals, we are going to concentrate on
external symmetry, because this is what we can observe.
There are 3 types of symmetry operations: rotation, reflection, and inversion.
Rotational Symmetry: As illustrated above, if an object can be rotated about an axis and
repeats itself every 90o of rotation then it is said to have an axis of 4-fold rotational
symmetry. The axis along which the rotation is performed is an element of symmetry referred
to as a rotation axis. The following types of rotational symmetry axes are possible in crystals.
1-Fold Rotation Axis - An object that requires

rotation of a full 360o in order to restore it to its
original appearance has no rotational
symmetry. Since it repeats itself 1 time every 360o it
is said to have a 1-fold axis of rotational symmetry.
2-fold Rotation Axis - If an object appears identical

after a rotation of 180o, that is twice in a 360o rotation,
then it is said to have a 2-fold rotation axis (360/180
= 2). Note that in these examples the axes we are
referring to are imaginary lines that extend toward
you perpendicular to the page or blackboard. A filled
oval shape represents the point where the 2-fold
rotation axis intersects the page.
3-Fold Rotation Axis- Objects that repeat themselves

upon rotation of 120o are said to have a 3-fold axis of
rotational symmetry (360/120 =3), and they will
repeat 3 times in a 360o rotation. A filled triangle is
used to symbolize the location of 3-fold rotation axis.
4-Fold Rotation Axis - If an object repeats itself after

90o of rotation, it will repeat 4 times in a 360o rotation,
as illustrated previously. A filled square is used to
symbolize the location of 4-fold axis of rotational
symmetry.
6-Fold Rotation Axis - If rotation of 60o about an axis

causes the object to repeat itself, then it has 6-fold
axis of rotational symmetry (360/60=6). A filled
hexagon is used as the symbol for a 6-fold rotation
axis.

Crystallography 2

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@Dr.

Symmetry Operation and Elements: Symmetry operation is an operation that can be

There are 3 types of symmetry operations: rotation, reflection, and inversion.

1-Fold Rotation Axis - An object that requires

2-fold Rotation Axis - If an object appears identical

3-Fold Rotation Axis- Objects that repeat themselves

4-Fold Rotation Axis - If an object repeats itself after

6-Fold Rotation Axis - If rotation of 60o about an axis

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