Basic Crystallography
An unspeakable horror seized me. There was a
darkness; then a dizzy, sickening sensation of sight that
was not like seeing; I saw a line that was no line; space
that was not space.......
I shrieked aloud in agony, " Either this is madness or it
is Hell."
"It is neither," calmly replied the voice of the Sphere, "it
is Knowledge; it is Three Dimensions: open your eye
once again and try to look steadily........
"Distress not yourself if you cannot at first understand
the deeper mysteries of Spaceland. By degrees they
will dawn upon you."
On the occasion of the Square's first encounter with
three dimensions, from
E. A. Abbott's Flatland, (1884).
Repetition = Symmetry
Types of repetition:
Rotation
Translation
Rotation
What is rotational symmetry?
Imagine that this object will be rotated (maybe)
Was it?
The object is obviously symmetric…it has
symmetry
The object is obviously symmetric…it has
symmetry
Can be rotated 90° w/o detection
…………so symmetry is really
doing nothing
Symmetry is doing nothing - or at least doing
something so that it looks like nothing was done!
What kind of symmetry does this object have?
What kind of symmetry does this object have?
4
What kind of symmetry does this object have?
4
m
What kind of symmetry does this object have?
4
m
What kind of symmetry does this object have?
4
m
What kind of symmetry does this object have?
4
m
4mm
Another example:
Another example:
6
m
6mm
And another:
And another:
2
2
What about translation?
Same as rotation
What about translation?
Same as rotation
Ex: one dimensional array of points
Translations are restricted to only certain values to
get symmetry (periodicity)
2D translations
Lots of common examples
Each block is represented by a point
This array of points is a LATTICE
Lattice - infinite, perfectly periodic array of
points in a space
Not a lattice:
Not a lattice:
Not a lattice - ….some kind of STRUCTURE
becuz not just points
Another type of lattice - with a different symmetry
rectangular
Another type of lattice - with a different symmetry
square
Another type of lattice - with a different symmetry
hexagonal
Back to rotation -
This lattice exhibits 6-fold symmetry
hexagonal
Periodicity and rotational symmetry
What types of rotational symmetry allowed?
Periodicity and rotational symmetry
Suppose periodic row of points is rotated through
± a:
a
a
Periodicity and rotational symmetry
To maintain periodicity,
vector S = an integer x basis translation t
a
a
S
t
t
vector S = an integer x basis translation t
t cos a = S/2 = mt/2
m cos a a axis
2 1 0 2 π 1
1 1/2 π/3 5π/3 6
0 0 π/2 3π/2 4
-1 -1/2 2π/3 4π/3 3
-2 -1 - π π 2
a
a
S
t
t
m cos a a axis
2 1 0 π 1
1 1/2 π/3 5π/3 6
0 0 π/2 3π/2 4
-1 -1/2 2π/3 4π/3 3
-2 -1 - π - π 2
Only rotation axes consistent with lattice
periodicity in 2-D or 3-D
We abstracted points from the shape:
We abstracted points from the shape:
Now we abstract further:
Now we abstract further:
This is a UNIT CELL
Now we abstract further:
This is a UNIT CELL
Represented by two lengths and an angle
…….or, alternatively, by two vectors
Basis vectors and unit cells
T = t a + t b
a b
a and b are the basis vectors for the lattice
a
b
T
In 3-D:
a
b
a, b, and c are the basis vectors for the lattice
c
In 3-D:
T = t a + t b + t c
a b
a
b
T
a, b, and c are the basis vectors for the lattice
c
c
a
b
c
g
b
a
Lattice parameters:
The many thousands of lattices classified into
crystal systems
System Interaxial Axes
Angles
Triclinic a ≠ b ≠ g ≠ 90° a ≠ b ≠ c
Monoclinic a = g = 90° ≠ b a ≠ b ≠ c
Orthorhombic a = b = g = 90° a ≠ b ≠ c
Tetragonal a = b = g = 90° a = b ≠ c
Cubic a = b = g = 90° a = b = c
Hexagonal a = b = 90°, g = 120° a = b ≠ c
Trigonal a = b = 90°, g = 120° a = b ≠ c
The many thousands of lattices classified into
crystal systems
System Minimum symmetry
Triclinic 1 or 1
Monoclinic 2 or 2
Orthorhombic three 2s or 2s
Tetragonal 4 or 4
Cubic four 3s or 3s
Hexagonal 6 or 6
Trigonal 3 or 3
Within each crystal system, different types of
centering consistent with symmetry
System Allowed
centering
Triclinic P (primitive)
Monoclinic P, I (innerzentiert)
Orthorhombic P, I, F (flächenzentiert), A (end centered)
Tetragonal P, I
Cubic P, I, F
Hexagonal P
Trigonal P, R (rhombohedral centered)
The 14 Bravais lattices
For given lattice, infinite number of
unit cells possible:
When choosing unit cell, pick:
Simplest, smallest
Right angles, if possible
Cell shape consistent with symmetry
535 intro.ppt

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535 intro.ppt