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# 604550 1017514 make a plot intensity vs 2 θ 10

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604550 10.17514 Make a plot: intensity vs 2 θ (10 points) Not shown, but do it by yourself

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[3]. Theoretically calculate the diffraction pattern for CaO using a Cu-K a line. (a) What is the crystal structure for CaO? (b) Derive simplified expressions for the structure factor F for CaO in terms of h, k and l . (c) Find the lattice constant of CaO from the ionic radius. (d) List the first five diffraction lines based on the structure factor of CaO derived in (b). (e) Plot atomic scattering factors for calcium and oxygen ions as a function of sin θ / λ . Note: use appropriate form of the valence state for calcium and oxygen in CaO form. (e) Calculate the theoretical intensity of the diffraction peaks for (c). (f) Make a plot of the calculated X-ray diffraction intensity with diffraction angle. (g) The diffraction pattern from CaO powder is shown bellow. Compare your calculated pattern with the experimentally determined pattern shown bellow. (a) r Ca2+ /r O2- =1.0/1.4=0.7143 à CN=6 à Rock salt structure (NaCl structure) (5 points) (b) Structure factor calculations (20 points) 4 O atoms: (000), (0,1/2,1/2), (1/2, 0, 1/2), (1/2, 1/2, 0) 4 Ca atoms: (1/2, 0, 0), (0, 1/2, 0), (0, 0, 1/2), (1/2, 1/2, 1/2) ] 1 )[ ( ] 1 [ ] 1 [ ] 1 [ ] 1 [ ] [ ] 1 [ ) ( ) ( ) ( ) ( ) ( ) ( ) ( ) ( ) ( ) ( ) ( ) ( ) ( ) ( ) ( ) ( ) ( ) ( ) ( ) ( ) ( ) ( 8 1 ) ( 2 2 2 2 2 2 2 2 2 k h i l h i l k i l k h i Ca O k h i l h i l k i l k h i Ca k h i l h i l k i O k h i l h i l k i l k h i Ca k h i l h i l k i O l k h i il ik ih Ca k h i l h i l k i O j lw kv hu i j e e e e f f e e e e f e e e f e e e e f e e e f e e e e f e e e f e f F j j j + + + + + + + + + + + + + + + + + + + + + + + + + + = + + + + + + = + + + + + + + = + + + + + + + = + + + + + + + = = + + + + π π π π π π π π π π π π π π π π π π π π π
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• Fall '12
• p
• Diffraction, Neutron diffraction, X-ray scattering techniques, 4F

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