Crystal Symmetry

ENMT 603006 / ENMT 613010

Wahyuaji NP
Departemen Teknik Metalurgi dan Material FTUI

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Crystal Symmetry
• In addition to the 14 Bravais lattices, we can also define
symmetry properties of the individual unit cells.
• A body or structure is symmetrical when its component parts
are arranged such that certain operations can be performed
so as to bring the body into coincidence with itself.
Crystal Symmetry
• 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
1 360o rotation, the crystal has repeated itself, or looks
identical 4 times. We thus say that this object has 4-fold
rotational symmetry.
Crystal Symmetry
• There are 3 types of symmetry operations:
• Rotation,
• Reflection,
• Inversion (and roto-inversion).
• We will look at each of these in turn.
Rotational Symmetry
• 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.
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.
Rotational Symmetry
• 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.
Rotational Symmetry
• 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.
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.
Rotational Symmetry
• Although objects themselves may appear to have 5-fold, 7-
fold, 8-fold, or higher-fold rotation axes, these are not possible
in crystals. The reason is that the external shape of a crystal is
based on a geometric arrangement of atoms. Note that if we
try to combine objects with 5-fold and 8-fold apparent
symmetry, that we cannot combine them in such a way that
they completely fill space, as illustrated below.
Mirror Symmetry
• A mirror symmetry operation is an imaginary operation that
can be performed to reproduce an object. The operation is
done by imagining that you cut the object in half, then place
a mirror next to one of the halves of the object along the cut.
If the reflection in the mirror reproduces the other half of
the object, then the object is said to have mirror symmetry.
• The plane of the mirror is an element of symmetry referred to
as a mirror plane, and is symbolized with the letter m. As an
example, the human body is an object that approximates
mirror symmetry, with the mirror plane cutting through the
center of the head, the center of nose and down to the groin.
Mirror Symmetry
• The rectangle on the left has a mirror plane that runs vertically
on the page and is perpendicular to the page. The rectangle
on the right has a mirror plane that runs horizontally and is
perpendicular to the page. The dashed parts of the rectangles
below show the part the rectangles that would be seen as a
reflection in the mirror
Mirror Symmetry
• Note that a rectangle does not have mirror symmetry along
the diagonal lines. If we cut the rectangle along a diagonal
such as that labelled "m ???", as shown in the upper diagram,
reflected the lower half in the mirror, then we would see what
is shown by the dashed lines in lower diagram. Since this does
not reproduce the original rectangle, the line "m???" does not
represent a mirror plane.
Mirror Symmetry
• The rectangles shown above have two planes of mirror
symmetry.
• Three dimensional and more complex objects could have
more. For example, the hexagon shown below, not only has a
6-fold rotation axis, but has 6 mirror planes.
Inversion and Roto-Inversion
• Another operation that can be performed is inversion through
a point. In this operation lines are drawn from all points on
the object through a point in the center of the object, called a
symmetry center (symbolized with the letter "i"). The lines
each have lengths that are equidistant from the original
points.
Inversion and Roto-Inversion
Inversion and Roto-Inversion
• When the ends of the
lines are connected, the
original object is
reproduced inverted from
its original appearance.
In the diagram shown
here, only a few such
lines are drawn for the
small triangular face. The
right hand diagram shows
the object without the
imaginary lines that
reproduced the object.
Inversion and Roto-Inversion
Inversion and Roto-Inversion
• Combinations of rotation with a center of symmetry perform
the symmetry operation of rotoinversion. Objects that have
rotoinversion symmetry have an element of symmetry called a
rotoinversion axis.
• If an object has only a center of symmetry, we say that it has a
1 fold rotoinversion axis. Such an axis has the symbol 1 , as
shown in the right hand diagram above.
• Other possible rotoinversion are as follows:
Inversion and Roto-Inversion
• 2-fold Rotoinversion
• The operation of 2-fold rotoinversion
involves first rotating the object by
180o then inverting it through an
inversion center. This operation is
equivalent to having a mirror plane
perpendicular to the 2-fold
rotoinversion axis. A 2-fold
rotoinversion axis is symbolized as a
2 with a bar over the top, and would
be pronounced as "bar 2". But, since
this the equivalent of a mirror plane,
m, the bar 2 is rarely used.
Inversion and Roto-Inversion
• 3-fold Rotoinversion
• This involves rotating the object by 120o
(360/3 = 120), and inverting through a
center. A cube is good example of an object
that possesses 3-fold rotoinversion axes. A
3-fold rotoinversion axis is denoted as 3
(pronounced "bar 3").
• Note that there are actually four axes in a
cube, one running through each of the
corners of the cube. If one holds one of the
axes vertical, then note that there are 3
faces on top, and 3 identical faces upside
down on the bottom that are offset from
the top faces by 120o.
Inversion and Roto-Inversion
• 4-fold Rotoinversion
• This involves rotation of the object by 90o then inverting
through a center. A four fold rotoinversion axis is symbolized
as 4. Note that an object possessing a 4- fold rotoinversion
axis will have two faces on top and two identical faces upside
down on the bottom, if the axis is held in the vertical position.
Inversion and Roto-Inversion
• 6-fold Rotoinversion
• A 6-fold rotoinversion axis (6) involves rotating the object by
60o and inverting through a center. Note that this operation is
identical to having the combination of a 3-fold rotation axis
perpendicular to a mirror plane.
Inversion and Roto-Inversion
Crystal Classes (Point Groups)
• As should be evident by now, in three dimensional objects,
such as crystals, symmetry elements may be present in several
different combinations. In fact, in crystals there are 32
possible combinations of symmetry elements.
• These 32 combinations define the 32 Crystal Classes. Every
crystal must belong to one of these 32 crystal classes.
• Hermann-Mauguin notation is used to represent the
symmetry element in point groups
Crystal Classes (Point Groups)
• Three positions in Hermann-Mauguin symbol
• Triclinic: No unique axis Only 1 or -1
• Monoclinic: [010]
• Orthorhombic: [100], [010], [001]
• Tetragonal: [001], [100], [110]
• Trigonal: [001], [100]
• Hexagonal: [001], [100], [210]
• Cubic: [100], [111], [110]
Crystal Classes (Point Groups)
• Hermann-Mauguin Symbols
Crystal Classes (Point Groups)
• Minimum symmetry elements
• Cubic : Four 3-fold rotation axis
• Tetragonal : One 4-fold rotation axis
• Orthorhombic : Three perpendicular 2-fold rotation
axis
• Rhombohedral : One 3 fold rotation axis
• Hexagonal : One 6-fold rotation axis
• Monoclinic : One 2-fold rotation axis
• Triclinic : None
Crystal Classes (Point Groups)
• Orthorombic Crystal
• To begin, write a number representing each of the unique
rotation axes present. A unique rotation axis is one that exists
by itself and is not produced by another symmetry
operation. In this case, all three 2-fold axes are unique,
because each is perpendicular to a different shaped face, so
we write a 2 (for 2-fold) for each axis, A:

• 2 2 2
Crystal Classes (Point Groups)
• Next we write an "m" for each unique mirror plane. Again, a
unique mirror plane is one that is not produced by any other
symmetry operation. In this example, we can tell that each
mirror is unique because each one cuts a different looking
face. So, we write:

• 2m2m2m
Crystal Classes (Point Groups)
• If any of the axes are perpendicular to a mirror plane we put a
slash (/) between the symbol for the axis and the symbol for
the mirror plane. In this case, each of the 2-fold axes are
perpendicular to mirror planes, so our symbol becomes:

• 2/m 2/m 2/m

Crystal Classes (Point Groups)
• Orthorombic Crystal
Crystal Classes (Point Groups)
• Tetragonal Crystal
Crystal Classes (Point Groups)
• Cubic Crystal
 Triclinic and Monoclinic
• Triclinic crystals have unequal axis lengths and angles,
none are 90o.
• Monoclinic crystals are more symmetrical: they have
unequal axis lengths and two 90o angles.

Least symmetry

Triclinic Microcline
KAlSi3O8

Monoclinic Gypsum
CaSO4
a-axis parallel first sloping face from c
Orthorhombic and Tetragonal crystals
are more symmetrical
Orthorhombic

Barite BaSO4
Tetragonal

Anatase TiO2
Hexagonal and Trigonal are still
more symmetrical Hexagonal

Beryl Be3Al2(Si6O18)

Trigonal

Tourmaline
The Isometric system has the most
symmetry

Grossular Ca3Al2Si3O12
dodecahedron

Grossular Ca3Al2Si3O12
cube
 Cubic
AXES
Hermann-
System Class Name Planes Center Maugin
2-Fold 3-Fold 4-Fold 6-Fold Symbols

Tetartoidal 3 4 - - - - 23

Diploidal 3 4 - - 3 yes 2/m -3

Isometri
c Hextetrahedral - 4 3 - 6 - 43m

Gyroidal 6 4 3 - - - 432

Hexoctahedral 6 4 3 - 9 yes 4/m -3 2/m

 Tetragonal
AXES Hermann-
System Class Name Planes Center Maugin
2-Fold 3-Fold 4-Fold 6-Fold
Symbols
Disphenoidal 1 - - - - - -4
Pyramidal - - 1 - - - 4
Dipyramidal - - 1 - 1 yes 4/m

Tetragona Scalenohedral 3 - - - 2 - -4 2m
l
Ditetragonal
- - - - 4 - 4mm
pyramidal

Trapezohedral 4 - 1 - - - 422

Ditetragonal-
4 - 1 - 5 yes 4/m 2/m 2/m
Dipyramidal
 Orthorhombic
AXES
Hermann-
Cente
System Class Name 2- 4- Planes Maugin
3-Fold 6-Fold r
Fold Fold Symbols

Pyramidal 1 - - - 2 - mm2

Orthorh
Disphenoidal 3 - - - - - 222
ombic

2/m 2/m
Dipyramidal 3 - - - 3 yes
2/m
 Hexagonal
AXES Hermann-
System Class Name Planes Center Maugin
2-Fold 3-Fold 4-Fold 6-Fold
Symbols
Trigonal
- 1 - - 1 - -6
Dipyramidal
Pyramidal - - - 1 - - 6
Dipyramidal - - - 1 1 yes 6/m
Hexago Ditrigonal
3 1 - - 4 - 6m2
nal Dipyramidal
Dihexagonal
- - - 1 6 - 6mm
Pyramidal
Trapezohedral 6 - - 1 - - 622
Dihexagonal
6 - - 1 7 yes 6/m 2/m 2/m
Dipyramidal
 Rhombohedral
AXES
Hermann-
System Class Name Planes Center Maugin
2-Fold 3-Fold 4-Fold 6-Fold Symbols

Pyramidal - 1 - - - - 3

Rhombohedral - 1 - - - yes -3

Ditrigonal
Rhomboh - 1 - - 3 - 3m
Pyramidal
edral

Trapezohedral 3 1 - - - - 32

Hexagonal
3 1 - - 3 yes -3 2/m
Scalenohedral
 Monoclinic
AXES

Hermann
System Class Name Planes Center - Maugin
2-Fold 3-Fold 4-Fold 6-Fold Symbols

Domatic - - - - 1 - m

Sphenoidal 1 - - - - - 2
Monoclinic

Prismatic 1 - - - 1 yes 2/m

 Triclinic
AXES Herma
nn-
Class Cent
System Planes Maugin
Name 2-Fold 3-Fold 4-Fold 6-Fold er
Symbol
s
Pedial - - - - - - 1
Triclinic
Pinacoidal - - - - - yes 1
Space Groups
• Space group theory relates crystal symmetry on an atomic
scale to the possible atomic arrangements that possess that
symmetry
• Space group theory will list all possible arrangements of n
atoms which should have x symmetry, where n is the number
of atoms (eg.) in a unit cell and x is the symmetry property
(eg.) cubic, tetragonal, hexagonal.
• There are 230 space groups; each space group has a finite
number of possible point groups.
Space Groups