결정학개론 (445.

206 002)
2011년 12월 13일 2nd Quiz Prof. Seong-Hyeon Hong

1.(40점) The symmetry diagrams for a space group is given below as projections

on x, y, 0.

(a) (5점) Find the symmetry elements.

(b) (5점) Work out the space group symbol.

(c) (5점) What is crystal system this space group belongs to?

(d) (5점) What is the point group?

(e) (10점) Enter on the diagram a point in a general site x, y, z, and allow the

symmetry to operate on it (use the symbol in the International Tables for X-ray

Crystallography ) and give the coordinates of the points equivalent to x,y,z.

(f) (5점) What is the multiplicity of the general position?

(g) (5점) Indicate a special position-if there are any-and give its multiplicity.

2.(25점) Consider independent atoms with the following coordinates in the

space group symmetry Imm2:

Atom1: x=0.0, y=0.15, z=0.33, Atom2: x=0.0, y=0.5, z=0.45

Atom3: x=0.25, y=0.25, z=0.25

Using the international tables for Crystallography (given in the following page),

carry out the following tasks.

(a)(5점) What is the point group? What is crystal system? What is the lattice type?

(b)(10점) Generate all symmetrically equivalent atoms from the three listed
independent atoms (the total in each case should be the same as the
multiplicity of the general position).
(c) (5점) Find atoms with equal coordinate triplets (remember that the
difference by a full translation in one, two or three directions refers to the
same atom) and cross them out. The total number of atoms left is the
multiplicity of the corresponding special position.
(d) (5점) Establish both the multiplicity and the Wyckoff notation of special
position for each of the three listed independent atoms.
3. (15점)

(a) (5점) State Neumann's principle.

(b) (5점) Which point groups are pyroelectric among the point groups 432, 2/m,

222, 2, and m. Which are piezoelectric?

(c) (5점) How many independent experiments should perform to determine the

electrical conductivity of the tetragonal single crystal of TiO2 (rutile).

4.(40점)

(a)(5점) The amplitude of the diffraction pattern of the crystal is given by

                                                    
.

What information can be inferred from each term on the right side.

(b)(10점) Derive the simplified expressions for F and F2 for NaCl structure,
including the rules governing observed reflections.

(c)(5점) Solution of the Laue equations shows that the scattering vector 
is
  
given by . Explain the meaning of this equation.

(d)(5점) Derive the Bragg's law (    ) from the Laue equations in which

the scattering vector is given by 


   .(  is defined by 
 

and q is the Bragg angle, equal to one half of the scattering angle.)

(e)(5점) What is the "Friedel's law"? How can you overcome the limitation

imposed by Friedel's law for space group identification?

(f)(5점) An atom with a K-shell vacancy can lose the excess energy and

return to its normal state in two ways. Please describe these two processes.

(g)(5점) Briefly describe six factors to affect the relative intensity of the

diffraction lines.
5.(30점) In a single crystal with a simple tetragonal structure and lattice
parameters a=2.0Å and c=4.0Å,
(a)(10점) Plot the corresponding reciprocal lattice and index the lattice points
(Use a two-dimensional section (k=0)).

(b)(10점) Sketch the Ewald circle for the Ka radiation (l=  Å) on the

reciprocal lattice of (a). The orientation of incident beam is such that (102)
diffraction occurs. (Mark the incident beam direction, diffracted beam direction,
location of crystal (C), and origin of the reciprocal lattice (O)).
(c)(5점) What is the diffraction angle 2q in (b)?

(For tetragonal system, interplanar spacing   
 )

  
  
  
(d)(5점) Which other reciprocal lattice points intersect the Ewald circle in a

two-dimensional section (k=0)? What are the diffraction angles 2q?