crystallography

Lattice, point group and systems

Reality is analyzed and concluded as laws of learning crystals

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 1-D pattern

Atoms of element type 1

Atoms of element type 2

a= unit vector and length

Unit cell

Fig. 1
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 Fig 1a. gives same atoms arrangement at regular interval the distance between them is
denoted by vector a.
Fig 1b. Also gives atoms arrangement by one atom of different element placed between two
adjacent atom of different element. Here also a unit cell distance is given by vector a( note
the distance in a and b fig.)
In fig 1c. The atoms(open circle) and its nearest distance is given by the vector a. in this dig.
Repetition is followed by two consecutive and successive atoms.
Lets replace this atoms by lattice point i.e. consider atom as a lattice point. The length
distance between this lattice point gives unit length and repetition of this unit length(or unit
cell) helps us to draw out the whole structure of 1-D.
The above fig. conclude us that infinitesimal repetition of unit cell would only gives us st.
line geometry. So only possible geometry(shape) is a line.
We can question why not curve line, since unit cell is defined on the basis of distance of
lattice point of one element to the other lattice of same element. So even if a cured pattern
is present it would form a repeated pattern whose lattice distance would be st. line Hence in
n-dimension also if we look the line would be st. line.
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 2-D pattern

Fig. 2

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 For 2-D pattern we need two co-ordinates let it be a1(x) and a2(y).
In the above diagram 2-d co-ordinates are labeled by a1 and a2 respectively. And as
before circles represent lattice points.
Vector joining the lattice point in x direction be a1 and in y direction be a2. these are also
called as translation vectors.
Translation vectors joining the shortest lattice points are called as basic vectors and the
cell formed is called as primitive unit cell. I and II are primitive unit cell or conventional
primitive cell.
Fig 3. is an non primitive unit cell.

Fig 3.
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 Some definitions and laws before proceeding:

For selection of unit cell only primitive vectors are taken.

Unit of pattern is called motif.
A lattice is an array of points in space in which the environment of each
point is identical.
Environment is defined in terms of co-ordinates- the number and distance
of nearest neighbor.

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 2-D pattern Fig 4.

Lattice point + Crystal system

P,I,F(primitive,
Parallelogram, rectangle, square, regular hexagon
Innenzentrierte,
frace centered); but in 2-d
P&F only exists Lattice plane
Oblique p-lattice, Rectangular p-lattice
Rectangular c-lattice. Sq. p-lattice
Hexagonal p-lattice
+ rotation and mirror plane
Point group
glide line + 10
17
Plane
group
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 Crystal system a. Parallelogram
b. rectangle-p
c. Centered rect.
d. Square
e. regular hexagon

Fig 5.

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 As seen in 1-D lattice point distribution can be only in 1 direction which results to
development of linear features. In 2-D as shape of an object can be only one of the 4
systems, Fig 5. and the lattice point distribution can be in following ways. Fig 6.(these
are called as lattice plane)
Oblique p-lattice
Rectangular p-lattice
Rectangular c-lattice
Lattice plane
Sq. p-lattice
Hexagonal p-lattice

But due to presence of lattice point at center of cell one symmetrical element is also
added as seen in rectangular c-lattice in fig 6a. forming rhombic p and diamond p unit
cell fig 6b.
Adding rotation and mirror plane gives us 10 plane point group. (Fig 7.)
Story doesnt ends here only addition of point group symmetry with lattice leads to
formation of glide line, which adds another symmetry to the system.
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 fig. 6
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 10 plane point group

Fig 7.

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Fig 7. : 10 plane point group

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 These glide lines are nothing but the displaced lattice(fig 8.).
Thus the addition of glide line forms the development of 17 plane groups.
Fig 9.

m= reflection plane
g= glide line

Fig 8.
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 Fig 9a.

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 Fig 9b.

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 Fig 10.

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 2-D flow chart
Look to the basic structure of the 1
diagram(commonly through high resolution
2
microscope in crystals case)
Identify the basic geometry of it i.e. motif: it will 1

help you to identify crystal system i.e- rectangular.

2
1 indicates motif of 1 type. (Rectangular system)
1
2 indicates motif of 2 type. (Rectangular system)
2
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 Select one particular type of motif;
Say motif 1
Replace motif by lattice point i.e.
minimum number of points needed
to set an environment of the shape.
As indicated in red(lattice points) of
1 motif and yellow of 2 motif.

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 Draw a vector joining one lattice with another
adjacent lattice in one direction(x) and another vector
in direction(y).
Assign name to each vector, say vector a and vector b.
Establish relation between them: a not equal to b;
b a
angle between them is 900.
This gives you rectangular lattice plane

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 Type of rectangular net is; say p-rectangular net.
In other case only one type of lattice plane is present. So no need to go in
brief in other cases.

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 Identify mirror plane and rotational symmetry
1 mirror plane
It will help in Identifying the plane point group m

2 mirror plane
m

==
mm
1800

== 2 fold rotation

2mm
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 At last see whether glide line is present or not.
Glided point
It will help in concluding plane group. i.e p2mg
Or use fig 10. to easy step plane group.

So our final answer is p2mg

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 2-D 3-D

4 crystal system 7 crystal system

5 plane lattice 14 space lattice

10 plane point group 32 point group

17 plane group 230 space group

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 3-D
The 3-d explanation includes addition of one more vector, so now three vectors are
needed to explain object in 3-D.
Looking at the basic geometry of an 3-D object one finds 7 shapes which could
perfectly explain the earths each solid form object. This 7 shapes are termed as 7
crystal system.
The geometry is made by joining three adjacent vectors(those tails meet at a common
point) from 1 lattice point to shortest lattice point. After that establishing length and
angle relation between them.
The 7 system defines the basic unit cell type.
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 a. Triclinic
b. Monoclinic
c. orthorhombic

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 d. Tetragonal
e. Cubic
f. Trigonal
g. hexagonal

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 After identifying basic pattern of structure yet we see that lattice point distribution
sometimes possible different shapes with a system as their main shape Eg- a cubic
crystal forms dodecahedron and other forms just by P,I,F centered structures. Hence
total 14 such type of forms exist which are known as 14 Bravais lattice.
The bravais lattice contains non primitive lattice also in order to explain further forms.

Fig shows two forms cubic I and

cubic F shape developed due to
different lattice point distribution in a
cubic crystal system

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 Cubic and tetragonal square lattice layer.
Orthorhombic P and I rectangular layer
Orthorhombic C and F- rectangular centered How 2-d patterns(nets) is
transferred to 3-D (nets).
Rhombohedral and hexagonal hexagonal layer
Monoclinic and triclinic oblique layer

Why orthorhombic P,I,F,C exists

whereas tetragonal P,I only exist
why not teragonal F,C exist ?
Ans: tetragonal F,C exists but their
lattice is not a new one to define
independently, hence we dont
define tetragonal F,C.

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 The mirror line symmetry of 2-D becomes mirror plane symmetry in 3-D.
Axis of symmetry in 3-D applies in same way to the symmetry as in 2-D .
In 3-D The addition of one different symmetry takes place i.e. center of
symmetry which is a point present at the center of a crystal. And this
elaborates 14 bravais lattice into more complex = 32 crystal classes.

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 The complexity of optical properties increases as its symmetry decreases

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 230 Space group
Addition of glide plane(glide line in 2-D) and screw axis in rotation and
translational symmetry increases the forms probability to 230 ways of
occurrence such defines the 230 space group.
14 bravais lattice + 32 crystal class + symmetrical operation( screw and
glide) == 230 space group.

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The co-ordinates are oriented as follows:
a axis is towards the reader.
b- axis is E-W position.
c-axis is perpendicular to the page.

Motifs are represented by small circles.

Height of motif are represented by + and ;
+means a distance upwards(along c) and
equivalent distance downward.
Motifs and symmetrical operations can be
accompanied by fractions ( , , 1/3 )
indicating a fractional distance( upward or
downward) within the unit cell.
The open circle is consider as right hand motif
and open circle with comma inside is left hand
motif. These two symbols are thus
enantiomorphic and can be related by a mirror,
glide or inversion operation.
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 Inversion point(center of symmetry) is noted by very small circle.
If mirror plane exists parallel to plane of the page, the superimposed motif are
indicated by small circle used for motifs.
The rotational symmetry is marked by standard rotational symbol(see notes- element
of symmetry); similarly the roto-inversion symmetry is presented by standard roto-
inversion symbols (see notes- elements of symmetry).
The glide plane presence is marked by dotted line parallel to direction of gliding. The
screw axis are denoted by fractions depending upon type of screwness.

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 Writing space group from point group
Choosen Lattice type is written as P,I,C,F,A,B,R.
The rotational Hermann mauguin notation is replaced by roto-inversion Hermann mauguin
notation: eg- P6 fold rotation is replaced by P6(bar).
Presence of screw axis is replace by rotational symmetry as: = 61,62,63,64,66..
Presence of glide plane is written as g or replaced by mirror plane by g; because a glide itself
forms a mirror image, hence if mirror and glide plane both exists in same plane or direction
mirror plane is replaced by glide plane. And if glide occur in different plane or direction to
mirror plane then both mirror plane and glide plane are symbolized. i.e. mg.
The mirror plane 2/m 2/m 2/m used is replaces by respective glide as 2/m 2/n 2/d as required.
other type of glide present is written instead of g.( see notes- symmetrical elements).

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Example of space group

Fig a: diopside crystal.

Fig b: Stereographic projection of diopside.
Fig c: basic lattice point distribution.
Fig. d: Crystal structure perpendicular to b-axis.
Fig. e: Structure in b-c plane.
Fig f: Glide plane representation of fig. d.
Fig. g: Corresponding space group.

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 Fig a: shows the diopside crystal with center of symmetry as c-axis; a-axis front to back. B-
axis right to left.; c-axis top to bottom, slightly tilted.
Fig b: b-axis posses two fold rotation, with no mirror plane parallel (outer dotted circle)
and perpendicular (only one perpendicular plane exist parallel to a axis(continuous vertical
st. line )).
The previously defined perpendicular mirror plane and lattice point distribution shows
primitive net(p). But in 3-D view it gives c-structured monoclinic net(presence of gliding
when seen in fig e&f).
A tetrahedral-octahedral-tetrahedral(t-o-t) structure is indicated and rotation and screw
parallel to b-axis, as a glide plane is noted.
Notation of vertical glide plane with c/2 component with idealized tetrahedral pyroxene
chain.(c/2 used in space group symbol instead of point group symbol 2/m).
Screw axis appears at + . Fig g.
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 Learning the sequence
When we look at a complex crystal can we roughly classify it as in one of the 7 crystal
system, since only a net pattern can be identified.
Next we look at its 32 crystal class, by identifying basic symmetry type(mirror, rotation,
rotoinversion, center of symmetry).
Above two points we defines external morphology of a crystal.
For further knowledge we take micro analysis in angstrom to identify lattice points which
gives us one of the 14 bravais lattice. And confirms ours crystal system of step 1.
Now we look the micro images to identify translational symmetry( glide and screw) to
elaborate it into 230 space group. Translations are carried out in microscopic image because
it occur of order 1 to 10 A.
2&3 points explains internal morphology of the crystal.
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 For complete knowledge of space group:
international table for x-ray crystallography, vols. 1 and A
Elementary crystallography, by M.J. Buerger
Mathematical crystallography, by M.B. Boisen, Jr. and G.V. Gibbs

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