ChE 386K X-Ray Diffraction Exam 1 Due Date: Thursday, November 14, 2003 I certify that I have not

received any help with this examination. I did not consult with anyone and it represents my own individual effort. I am fully aware of the consequences of dishonesty when taking examinations. The use of all books and notes is encouraged.

Signature 1. In ETC 9.112 you will find two small wooden objects in a box. They are numbered 25 and 26. Determine the point group of each of these objects. Note: The diamond shapes on the sides of object 26 are not exactly equivalent to each other. They alternately point up and down. 2. What is the point group for a common pair of eyeglasses? 3. 2 2 2, 3 / m 2 , and 43 2 are unusual descriptions of the symmetry of three crystallographic point groups. What are the conventional symbols? 4. Deduce the space group from the following diagram. An International Table Vol. A is available in ETC 9.112. Please do not remove it from the room.

5. Find the type and position of the conventional symmetry element that is involved in the following transformations: a) x, y, z -x, -y, +z. b) +x, +y, -z +x, y, +z.

6. Elevator #1 (facing the elevators its the leftmost) has diamond plate metal flooring as pictured below. What is the 2-d plane group of this flooring?

7. What is the plane group symmetry of this slightly different diamond plate:

8. The structure of Cuprite, Cu2O, was among the first to be determined. From the unit cell parameter (a = 4.26 ), crystal system (cubic), and the density ( = 6.1 g cm-3) determine the space group or groups in which Cuprite could possibly crystallize and the crystal structure (atomic positions) of Cuprite. 9. Yoderite is monoclinic with a = 8.035, b = 5.805, c = 7.346 and = 105.63. Calculate the reciprocal lattice constants and the spacing of the (111) planes. Calculate the angle between (100) and (111). 10. On the next page is a projection down b of a monoclinic structure of Li4Al9. All atoms lie at y = 0 and y = . Large circles represent Li and small circles represent Al in the diagram. Open circles occur at y = and filled at y = 0. Space group: C2/m, a = 19.155 , b = 4.499 , c = 5.429 , = 107.67 Li(1) in 4i, x=0.155, z=0.087 Al(3) in 4i, x=0.2326, z=0.622 Al(3) in 4i, x=0.2326, z=0.622 Al(5) in 4i, 0.4564, z=0.239 The -brass structure of alloys AB has symmetry Pm 3 m with A at 0, 0, 0 and B at , , . Transform this structure into a monoclinic cell using the T matrix below with a = 3.25 for the cubic cell and plot down the new b axis in a scale similar to the provided figure. You should discover that the Li4Al9 structure is closely related to -brass. Li(2) in 4i, x=0.3853, z=0.706 Al(4) in 4i, x=0.3080, z=0.144, x=0.0863, z=0.531 Al(4) in 4i, x=0.3080, z=0.144

Al(1) in 2a Al(2) in 4i, x=0.0863, z=0.531

4 4 1 T = 1 1 0 0.5 0.5 3 2