Monday, July 13, 2015

CRYSTALLOGRAPHY PART 6


Crystallographic Notation
(Intercepts, Parameters and Indices)
a)    Intercepts:
In describing crystal faces, it is important to indicate the crystallographic axis is intersected or not intersected by the faces.
          Intercepts are where crystallographic axes are met and intersected by crystal faces.
The point of [1]intersection of the crystallographic axis is called the origin and is given the value 0.  Reference is usually taken from that point.  Based on this idea, intercepts refer to the distance of a crystallographic axis from the origin to a crystal face, within a unit cell.  Usually, the intercepts of a crystallographic axis in a unit form is always 1 but there are a few variations.
For example in the figure below, the face (labeled 1) intersects the a crystallographic axis at a unit length (OS) and is parallel to the b and c crystallographic axes.  The intercepts of this face will be 1a, b, ∞c.

 




Figure 17: Face 1, intercepting the a crystallographic axis and parallel to the other two, (1a, ∞b, ∞c)
 
         

          The next figure shows two faces; 2 and 3 which both intersect the a crystallographic axis and are parallel to both the b and c crystallographic axes.  Face 3 intersects the a crystallographic axis at a distance, OS1, which is further than the distance at which face 1 intersects the same axis.  Its distance is considered to be twice the unit length and its intercepts will therefore be 2a, b, ∞c, relative to face 1 and the intercepts of face 1 will be 1a, b, ∞c.



 


Figure 18: A comparison between 2 faces, 2 and 3 which intersect the same crystallographic axis at different lengths.
 


          The next figure demonstrates a face, 4, which intersects both the a and b crystallographic axes at a unit length (OP and OP1 respectively) and is parallel to the c crystallographic axis.




Figure 19: Face 4 intersects both the a and b crystallographic axes at a unit length and is parallel to the c crystallographic axis.

                                                                                                                  

          Its intercept value can be given as 1a, 1b, ∞c.
In some cases, a face can intersect all three crystallographic axes at unit length, in Figure 20 below, face 5 intercepts all crystallographic axes at unity (OK, OL and OM) giving it the intercepts 1a, 1b, 1c.



 


Figure 20: Face 5 showing intercepts 1a, 1b, 1c.
 
The next demonstration shows face 6 also intersecting all crystallographic axes but at unequal lengths compared to face 5.  It intersects the a and c crystallographic axes at further lengths and the b crystallographic axis at the same length as face 5.
For face 5, the intercepts are 1a, 1b, 1c.
For face 6, the intercepts are 2a, 1b, 2c


 

Figure 21: A comparison between 2 faces, 5 and 6 which intersect all crystallographic axes at different lengths.
 
The most widely used systems of notation are the Parameter system of [2]Weiss and the Index System of [3]Miller.


a)    Parameters (The Parameter system of Weiss):
          Parameters are defined as the ratios of distances from the origin at which crystal faces cut crystallographic axes (for short, Parameters are ratios of intercepts).
          Weiss considered the crystallographic axis to be labeled as a, b, c, for unequal axes, a, a, c for 2 equal and 1 unequal axis and a, a, a, for all 3 axes being equal in length.  (See Figure 13, Figure 14 and Figure 15).
          The intercept values that a face makes with the crystallographic axes are written before the axes. 
For example: na, mb, pc, where n, m, p are the parameter values when compared to the corresponding lengths cut off by the unit form (III).
NB: Unit form is the form whose face intersects the crystallographic axes at unit lengths (III) where reference is taken for the intercepts of the other crystal forms on the same axes.
In order to represent infinity or a face that is parallel to an axis (does not intersect an axis), Weiss used the sign ∞.
Thus following the Weiss parameters;
                        i.            a, 2b, ∞c, means that the face:
-         Cuts the a crystallographic axis at a distance of 1 unit (the same unit as the unit form),
-         Cuts the b crystallographic axis at twice the unit of the unit form and is parallel to the c crystallographic axis.
                     ii.            a, b, ∞c, means that the face:
-         Cuts the a crystallographic axis at a distance of 1 unit (the same unit as the unit form) and is parallel to the b and c crystallographic axes.

b)    Indices (The Index System of Miller or Miller Indices):
Miller indices are a series of whole numbers used to indicate the precise positions or relative distance at which crystal faces intersect different crystallographic axes in space.
          In this system of notation, the indices or reciprocals of the parameters are used.  They are written in the order of crystallographic axes (that is the first number stands for the a crystallographic axis, the second number stands for the b crystallographic axis and the third number stands for the a crystallographic axis)
NB: In crystal systems that have 4 crystallographic axes, the first three numbers stand for the horizontal axes; a1, a2, a3 and the fourth number stands for the vertical axis which is the c axis.
          The whole numbers are taken from parameters and are always given in their most simple form by inversion and clearing off fractions.
For example, consider a face with Weiss parameters a, 2b, ∞c
-         The reciprocals of the parameters will be ,  ,  or a,  b, c
-         By inversion, we will have ,  ,
-         Simplifying it gives the Miller indices as 2 1 0, read as two, one, naught (zero) and NOT two hundred and ten.
Similarly, a face which intersects the a crystallographic axis and is parallel to the b and c crystallographic axes, notated in Weiss parameters as a, b, ∞c, will have the Miller index I00, read as one, zero, zero.
A Weiss Parameter of   , 1,  , simplified into Miller Indices will be (213); Two, one, three.
          Miller indices are very important because they show the relationship between a crystal face and a crystallographic axis by giving the relative length of each crystallographic axis from the origin (0) to the face in question.  The larger the index, the smaller the corresponding intercepts and the closer the face is to the origin. On the other hand, the smaller the value, the farther the face is from the origin. 
Take for instance (2 1 3) means that the face in question intersects:
-         The a crystallographic axis at  the unit distance,
-         The b crystallographic axis at a unit distance and
-         The c crystallographic axis at  the unit length.
Since crystallographic studies at this level do not deal with measurements, most faces that cut all three crystallographic axes are considered to be at unity (III).
Any face which cuts the negative end of a crystallographic axis is indicated by putting a bar (-) above the index of that axis.  For example (IĪI), read as one, bar one, one, indicates that the face intersects
-         The a crystallographic axis at the positive end,
-         The b crystallographic axis at the negative end and
-         The c crystallographic axis at the positive end.

The notation of crystal form is a summary of the crystal faces and written in braces, that is { } to differentiate them from Miller indices which are written in parenthesis, that is ( ). 
NB: The number of faces in a Form depends on the symmetry of the crystal (that is the level of regular repetition of the same unit cell).
For example:
-         ( I I I ) represents a crystal face that cuts all three crystallographic axes (a, b, c) at their positive ends (known as a Pyramidal face),
-         While { I I I } represents a crystal form with 8 faces with each face cutting all three crystallographic axis (known as an Octahedron). 
Notations of crystal forms are called Form symbols.
Form symbols have no bars on them.  For example { I Ī I } is wrong!







3To Intersect means to cross something, or cross each other
[2]Christian Samuel Weiss (Feb. 26, 1780 – October 1, 1856) was a German Mineralogist
[3]William Hallowes  Miller (Apr. 6, 1801 – May 20, 1880)