X-Ray Diffraction Homework: Deriving (2theta) Values

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SUMMARY

The discussion focuses on deriving the (2theta) values for (100) and (110) planes in a crystal with two distinct fractions, characterized by cell parameters of 4.123Å and 3.997Å, using X-ray diffraction with Cu K-alpha (1.542Å) and Mo K-alpha radiation. The calculations utilize Bragg's law, expressed as n*lambda = 2*d*sin(theta), and the formula for d-spacing, d = a/(h^2 + k^2 + l^2)^(1/2). The participant successfully calculated a (2theta) value of 43.92 degrees for the (100) plane but expressed confusion regarding the differing lattice parameters for the two fractions, suggesting a need for clarification on crystal structure variations.

PREREQUISITES
  • Understanding of Bragg's Law in X-ray diffraction
  • Familiarity with crystal lattice parameters and d-spacing calculations
  • Knowledge of X-ray radiation types, specifically Cu K-alpha and Mo K-alpha
  • Basic principles of crystallography and crystal structures
NEXT STEPS
  • Study the implications of different lattice parameters in mixed crystal systems
  • Learn about the calculation of d-spacing for various Miller indices
  • Explore the differences between Cu K-alpha and Mo K-alpha radiation in X-ray diffraction
  • Investigate the effects of atomic radius on crystal structure and diffraction patterns
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Students and researchers in materials science, crystallography, and solid-state physics, particularly those involved in X-ray diffraction analysis and crystal structure determination.

Lemenks
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Homework Statement



A crystal composed of two fractions, one having the a cell parameters of 4.123A and the other of 3.997A are subjected to X-ray diffraction using both Cu k-alpha and a Mo k-alpha radiation. Derive the angular position of (2theta) for (100) and (110) planes.
Explain the procedure you used for the calculation.

Homework Equations



Bragg's law: n*lambda = 2*d*sin(theta)

d = a/(h^2 + k^2 + l^2)^(1/2)

The Attempt at a Solution



I found both equations - I understand them but I don't know why a is different for both ions. I know that the ions radius will be different but when we scan the crystal, the value of a should be the same?

Anyway I will show one calculation, I know the method but I am not sure I can fully explain it.

d = a/(1+0+0) = a

n = 1

lambda = 1.542A for the Cu k-alpha radiation

1.542 = 4.123 sin(theta)

theta = 21.96

2*theta = 43.92 degrees.

I would repeat this 7 more times to find every peak for the two planes, the two forms of ka radiation and the two atomic radii. ~ I don't know why a is different for both atoms, if the lattice repeats infinitely and there are equal numbers of both atoms, then it seems like there should be equal distances between both atoms.
 
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I think the different cell parameters refer to different crystals or crystal structures - your sample has both, but not at the same place.
 
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