Atom position in a cubic cell

CARTESIAN COORDINATE SYSTEM

 This system is used to locate the position of the atom in a
cell
In a cubic cell :
The y – axis is to the right
The x – axis is perpendicular to the plane of the paper
The z –axis is directed upwards
 In a cubic system direction indices are the components of a
vector projected on the three axis , the direction vector emerges
from the surface .
PROCEDURE FOR FINDING
DIRECTION INDICES
1) Find the coordinates of the initial point ( x1 , y1 , z1 ) and
the end point ( x2 , y2 , z2 ) .
2) The vector is given by ( x2 – x1 , y2 – y1 , z2 – z1 )
3) If any of the components of the vector is a fraction ,
multiply all the components by a suitable integer , so that
the vector is composed of the smallest three possible
integers .
4) If any of the components of the vector has a negative
sign it is placed above the number .
5) The numbers are then placed in brackets as follows
[ 121] or [ 122]
.
 Example : Find the direction indices for vector AB where
A=(¾,0,¼) , B=(¼,½,½)

AB = ( ¼ - ¾ , ½ - 0 , ½ - ¼ ) = ( - ½ , ½ , ¼ )
We multiply by 4 , then AB = ( -2 , 2 , 1 )
The indices are [ 2 2 1 ]
MILLER INDICES
 Miller indices are used to refer to a specific plane of
atoms .
 They are the reciprocals of the fractional intercepts that
the plan makes with the crystallographic X , Y and Z
axes of the three perpendicular edges of the cell

z
Miller Indices =(111)

y
x
Steps for finding Miller indices
 Choose a plane that does not pass through the origin .
 Determine x , y and z intercepts with the plane

 Find the reciprocals of the intercepts .

 If fraction numbers exist , multiply by an integer of your

choice to have whole numbers .
 Place a bar over the number for negative values .

 In close the numbers in parenthesis ( h l k )

Examples
Inter planar spacing between parallel closest
planes with same Miller indices
 Given that “ a “ is the lattice parameter , h , k and l are
the Miller indices then the distance d is given by the
following formula .
Linear and planar density
 Linear density : It is defined as the number of atoms per
length of atoms whose centers lie on the direction vector
for a specific crystallographic direction .
 Planar density : Number of atoms per unit area that are
centered on a particular crystallographic plane .
Example :

 Find the linear density of [110] and the [ 100 ] directions

in an FCC cell in terms of the atomic radius .
 Discussion ( student activity )
Why studying vector directions and Miller
indices
 Deformation under loading ( slip ) occurs on certain
crystalline plans and in certain crystallographic
directions . Before we can predict how material fail , we
need to know what modes of failure are more likely to
occur .
 Other properties of materials ( optical , reactivity ,
electrical & thermal conductivity , elastic modulus ) can
vary in a crystal with orientation .