South University of Science and Technology of China

Department of Material Science and Technology

Crystal structure model building and structure analysis

1. Objectives
1.1. Understand and master the characteristics of 7 Crystal systems and 14 Bravais lattices;
1.2. Understand and be familiar with common crystal structures;
1.3. Understand the concept and the difference of the primitive cell and unit cell;
1.4. Learn the method to identify and express the crystal plane and crystal orientation of
different crystal systems;
1.5. Learn how to express and transfer the crystal orientation and the crystal plane in the 3-axis
and the 4-axis system for the hexagonal crystal system.

2. Introduction
2.1. Bravais lattice
In geometry and crystallography, a Bravais lattice, studied by Auguste Bravais, is an infinite
array of discrete points in three dimensional space generated by a set of discrete translation
operations described by:
R = 1 1 + 2 2 + 3 3
where ni are any integers and ai are known as the primitive vectors which lie in different
directions and span the lattice.
2.2. Unit cell and primitive cell
Unit cell is a cell whose volume formed by the arbitrary chosen basis vectors (normally within
the 14 Bravais systems). They fill the complete space by translational symmetry. Primitive cell
is smallest possible unit cell.

3. Apparatus and Reagent

3.1. Materials: ball, stick, rubber ropes

South University of Science and Technology of China

Department of Material Science and Technology
4. Procedure
4.1. Demonstration of the 14 bravais lattice models;
4.2. Demonstration of the following nine common crystal structured models: Diamond,
graphite, sodium chloride, copper, iron, magnesium, carbon dioxide, cesium chloride, carbon
60 (molecule);
4.3. Demonstration of the ball and ball-stick crystal models of common cubic structures and
the close-packed crystal structures (simple, body-centered, face-centered and hexagonal);
4.4. Build up the following 4 crystal structure models: diamond, graphite, sodium chloride,
carbon 60;
4.5. Analyze the structure of your models:
a) Show the unit cell of the following three models with rubber ropes: diamond, graphite,
sodium chloride;
b) Show the primitive vectors of the above three models: crystal directions [100], [110], [111],
[121]; crystal planes (100), (110), (111), (121);

5. Result
5.1. Demonstration of the 14 bravais lattice models
14 bravais lattice models are shown in Fig.1.

South University of Science and Technology of China

Department of Material Science and Technology

Fig.1.Structure of 14 bravais lattice

5.2. Demonstration of following crystal structure models: Diamond, graphite, sodium

chloride, copper, iron, magnesium, carbon dioxide, cesium chloride and carbon 60
(molecule)
Crystal structured models of these common materials are shown in Fig.2.

South University of Science and Technology of China

Department of Material Science and Technology

Fig.2. Crystal structure models of common materials

5.3. Demonstration of the ball and ball-stick crystal models of common cubic structures
and the close-packed crystal structures (simple, body-centered, face-centered and
hexagonal)
Common cubic structure is shown as (a) in Fig.3, and the close-packed crystal structures are
shown as others in Fig.3.

South University of Science and Technology of China

Department of Material Science and Technology
Fig.3. Ball-stick crystal models of cubic and structures and the close-packed crystal structures

5.4. Crystal structure models of diamond, graphite, sodium chloride, carbon 60 and their
unit cell
The crystal structures of diamond, graphite, sodium chloride and carbon 60 are shown in Fig.4.
And their unit cells are circled by rubber ropes.

Fig.4. Crystal structure models of diamond, graphite, sodium chloride, carbon 60

5.5. Analyze the structure of diamond

South University of Science and Technology of China

Department of Material Science and Technology

Fig.5.Crystal directions and crystal planes of diamond structure

5.6. Analyze the structure of graphite

Fig.6. Crystal directions and crystal planes of graphite structure

South University of Science and Technology of China

Department of Material Science and Technology
5.7. Analyze the structure of sodium chloride

Fig.7. Crystal directions and crystal planes of graphite structure

6. Questions and Further Thoughts

6.1. What are the respective lattice parameters of the 14 bravais lattices? Which crystal
system it belongs to, respectively? Draw the 14 bravais lattices with your pen in your lab
report. (Attention: Drawing on your computer is not allowed.)
Answer:

South University of Science and Technology of China

Department of Material Science and Technology

Fig.8. Sketch of 14 bravais lattices

6.2. Which crystal system do the diamond and graphite belong to? Why?
Answer: Diamond belongs to cubic crystal system, and graphite belongs to hexagonal crystal
system. Actually we can judge which crystal system materials belong to by comparing their
lattice parameters. For diamond, we know that 1 = 2 = 3 , = = = 90, so diamond
belongs to cubic crystal system. While for graphite, 1 = 2 3 , = 120 and = = 90,
it is accord with the parameter of hexagonal crystal system.
6.3. What are the close-packed plane Miller indexes of the cubic and hexagonal structures?
Answer: For cubic structures, Miller indexes of the close-packed plane is {110}. And for
hexagonal structures, Miller indexes of the close-packed plane is {0001}.
6.4. How to define the Primitive cell, Unit cell, Wigner - Seitz cell? And what are the
differences?
Answer: For the definition, a primitive cell is a minimum volume cell corresponding to a single
lattice point of a structure with discrete translational symmetry; a unit cell is a cell whose
volume formed by the arbitrary chosen basis vectors (normally within the 14 Bravais systems).
They fill the complete space by translational symmetry; and a Wigner-Seitz cell is the smallest
possible primitive cell, which consist of one lattice point and all the surrounding space closer
to it than to any other point. As shown in fig.9.

South University of Science and Technology of China

Department of Material Science and Technology

Fig.9.Three cells of crystal structure

In easier words, unit cell is element of crystal structure which must consider symmetry and has
more right angle, primitive cell is smallest possible unit cell which do not consider right angle.
In addition, the unit and primitive cell would be one of those cubes and the W-Z cell would be
each single lattice point and surroundings.
6.5. In tasks 4 and 5, you have shown some crystal directions and crystal planes of
hexagonal crystal in 3-axis system. Then, what are the corresponding crystal
orientations and crystal planes in the 4-axis system? Please represent them in the lab
report.
Answer: Crystal orientations and crystal planes in the 4-axis system in task 4 and 5 are shown
in Fig.10.

Fig.10. Crystal orientations and crystal planes in the 4-axis system