上海交通大学：《Structural and Chemical Characterization of Materi》教学资源_HW

Homework assignment (released on April 2nd,due on April 9th,2019) (Use SJTU experiment report sheet) 1.Calculate the Multiplicity,LP factor (using the equation in the lecture note, A=1.54 A),and Structure Factor(Fhk)for the first 5 peaks in Mg(HCP structure). There are two atoms per unit cell at(0,0,0)and at(1/3,2/3,/2)respectively 2.A face centered cubic structured single crystal with a lattice constant of ao is studied by aa monochromatic X-ray radiation whose wavelength is A=ao/2: 1)Illustrate by drawing the reciprocal lattice of this crystal and indicate its lattice constant. 2)If the incident beam direction is along the [010]direction of the crystal,please deduce the possible directions of diffracted beams. 3.Calculate the theoretical intensity of the first 3 diffraction peaks of W powder (Cu-Ka radiation,aw =0.3164 nm)in the absence of the absorption and temperature effects (the intensity of the strongest peak is normalized to 100)and compare them with software results(Materials Project). 4.A powder X-ray diffraction pattern of a B2 structured substance using CuKa radiation is shown as below.The B2 structure is based on bcc structure whose body-centered site (/2,/2,/2)is occupied by atom A and the corner site(0,0,0) is occupied by atom B 1)Index each diffraction peak using Miller indices. 2)Explain the reason why the intensity of 1st peak is much lower than the 2nd peak in terms of structure factor. 3)Determine the lattice constant of this substance precisely

Homework assignment (released on April 2 nd , due on April 9 th , 2019) （Use SJTU experiment report sheet） 1. Calculate the Multiplicity, LP factor (using the equation in the lecture note, =1.54 A), and Structure Factor (Fhkl) for the first 5 peaks in Mg (HCP structure). There are two atoms per unit cell at (0, 0, 0) and at ( 1 /3, 2 /3, 1 /2) respectively. 2. A face centered cubic structured single crystal with a lattice constant of a0 is studied by a a monochromatic X-ray radiation whose wavelength is λ= a0/2: 1) Illustrate by drawing the reciprocal lattice of this crystal and indicate its lattice constant. 2) If the incident beam direction is along the [010] direction of the crystal, please deduce the possible directions of diffracted beams. 3. Calculate the theoretical intensity of the first 3 diffraction peaks of W powder (Cu-Kα radiation, aW = 0.3164 nm) in the absence of the absorption and temperature effects (the intensity of the strongest peak is normalized to 100) and compare them with software results (Materials Project). 4. A powder X-ray diffraction pattern of a B2 structured substance using CuKα radiation is shown as below. The B2 structure is based on bcc structure whose body-centered site ( 1 /2, 1 /2, 1 /2) is occupied by atom A and the corner site (0, 0, 0) is occupied by atom B. 1) Index each diffraction peak using Miller indices. 2) Explain the reason why the intensity of 1 st peak is much lower than the 2 nd peak in terms of structure factor. 3) Determine the lattice constant of this substance precisely

(ne) 20 30 40 0 60 70 20(deg) Index the diffraction pattern from Fe2O3 (Cu-Ka radiation)as shown using the attached PDF data 330634 Ouaty Fe203 CAS Number:1309-37-1 Molecua:Weight1596的 30193 Dm5.20 Sy:He×agnd a5035b c1374 tp 5SF0MF30-69.0111.3 13 1009 d(7 d Int h k I dA) Intd h k I dA) h k ambc41.540598 919 d-spdiffractometer 8 22920 0100303 01021 425 10 6941 411 1510001 121 1, 57727 1 112321012021432 324 89540 012 545225136135344 020 34

5. Index the diffraction pattern from Fe2O3 (Cu-Kα radiation) as shown using the attached PDF data