1. X Ray Diffractometry-II
Madangopal Krishnan
Materials Science Division Bhabha Atomic Research Centre, Mumbai

12. INDEXING A DIFFRACTION PATTERN FROM CUBIC MATERIALS

21. Worked Example cont…
Step 3: Calculate the ratio sin2/ sin2min and multiply by the appropriate integers.

22. Worked Example cont…
Step 4: Select the result from (3) that yields h2 + k2 + l2 as a series of integers.

23. Worked Example cont…
Step 5: Compare results with the sequences of h2 + k2 + l2 values to identify the Bravais lattice.

24. Worked Example cont…
Step 6: Calculate lattice parameters

25. Analytical Recall: Let then
For any cubic system, h2 + k2 + l2 = 1,2,3,4,5,6,8,9,10,11,12,…
If we determine sin2 for each peak and divide the values by the integers 2,3,4,5,6,8,9,10,11…, we can obtain a common quotient, which is the value of K

26. Worked Example

27. Worked Example cont… Steps: (1) Identify the peaks.
(2) Determine sin2
(3) Calculate the ratio sin2 /(integers)
(4) Identify the lowest common quotient from (3) and identify the integers to which it corresponds. Let the lowest common quotient be K.
(5) Divide sin2 by K for each peak. This will give you a list of integers corresponding to h2 + k2 + l2
(6) Select the appropriate pattern of h2 + k2 + l2 values and identify the Bravais lattice.
(7) Calculate lattice parameters.

28. Worked Example cont…

29. Worked Example cont…

34. INDEXING A DIFFRACTION PATTERN FROM NON-CUBIC MATERIALS

60. Phase Diagram Determination

65. Quantitative Analysis

68. Thank You!