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MatSE 535 – 4th homework – 2009

Due 3/25/09 – email is good – hard copy is OK

1.LaB6 (a material commonly used as an electron emitter in electron microscopes) is Pm3m with a = 4.1566 Å, and La in 1a and B in 6f (x = 0.207). Carefully draw below a view of this structure in projection down [001]. Next to each atom shown mark the height above the plane of the projection at which the atom is located as a fraction of the length of the a axis. Of course, you will have to refer to Vol. I or A of the Tables (Deike and Davy Libraries, or online). How many nearest neighbors does each La atom have?

2. Construct a stereographic projection, on a piece of translucent paper, from data given below using an angle measuring device called a Wulff net (see below). The translucent paper is necessary so that the Wulff net can be seen through your stereographic projection. The projection must be freely rotated around the center of the Wulff net to plot and index the points – fix the two centers with a thumbtack. You will need to use the cross product rule for zones and the zone law (see appendix below).

Specifically, do the following:

1. Use the angular data below to plot the poles for an mmm orthorhombic crystal, projecting down the c axis.

2. Draw all the symmetry related poles (upper hemisphere only).

3. Proceed to index all the poles using the cross product rule for zones and the zone law. Do the lower left quadrant of the projection first. Judiciously select two or three pairs of points and draw great circles through each pair. If correctly done, the circles will intersect at some point which is probably not at the position of one of the poles which you have plotted.

4. Calculate the zone axis for each pair and then index these (possibly fictitious) poles through the use of the zone law. Remember that all (nh nk nl) (n=integer) poles are located at the same position. Through iteration of this procedure, all of the poles can be indexed.

5. Calculate the ratios of the lengths of the crystallographic axes.

Data:

Pole no. (hkl)Angle from the c axis Angle from the horizontal - clockwise, east

1 -0 -

2 - 9062

3 - 9043

4 - 9025

5 - 370

6 - 56.50

7 - 2862

8 (111) 3962

9 - 5862

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Appendix. The Stereographic Projection.

Unfortunately, much of our intellectual world is, at the present time, flat. We get much of our information from the pages of a book, the TV or computer screen, paper, etc. Three-dimensional objects in these media are projected onto two-dimensions, and it is left to our minds to add depth to the projected images. We must also make projections in crystallography, but the usual type of projection, the stereographic projection, is constructed in a manner which is somewhat different from that to which you are probably accustomed. Our first use of stereographic projections was to graphically represent symmetry operations and their results.

A stereographic projection is a means of showing a three-dimensional configuration in two-dimensions, and is drawn as described below.

Procedure
The purpose of the stereographic projection is to describe a 3-D object, array, etc., in two dimensions such that quantitative measurements of solid angles can be made from the projection. Plane normals (poles) are usually plotted in crystallography. The object to be described is placed at the center of a sphere in the desired orientation. The poles are extended until they hit the sphere. Then a line is drawn from each point where a pole hits the sphere to the south (or north) pole. Where these lines pass through the equatorial plane, the projected points are marked.

Refer to figure 1.

Draw a sphere and locate the north and south poles, and the equator. Place the object or configuration at the center of the sphere. For crystals, the symmetry elements and the poles of the crystal planes (the poles are the normals to the crystal planes; see the discussion on crystal planes below) are usually projected. The pole is extended from the center of the sphere to its surface. The resulting point on the surface, if in the northern hemisphere, is connected to the south pole with a line; where this line intersects the equatorial plane, a point is marked thus:  (If the point is in the southern hemisphere, the point is connected to the north pole and the projected point is shown as: 0.)

Plane normals

Plane normals are useful in stereographic projections. Note, however, that the plane normals are not the same as crystallographic directions. These are only equivalent for the cubic crystal system. Crystallographic directions [uvw] are rational directions, i.e., directions along lines which must pass through at least two lattice points.

Zones

Any two planes intersect along a line which is called a zone axis. A number of planes may have the same zone axis, which means that each plane is parallel to the same line. The zone axis [uvw] is calculated as ui + vj + wk from:

i j k

h1 k1 l1

h2 k2 l2

A plane (hkl) belongs to the zone [uvw] if hu + kv + lw = 0. If (h1 k1 l1) and (h2 k2 l2 ) are in the same zone then (h1+h2 k1+k2 l1+l2 ) is also in the same zone.

Figure 1. Procedure for drawing a stereographic projection. Only the projected point (right) for one pole (left) is shown.