Calculating 2θ for XRD Pattern of a FCC Lattice

In summary, to calculate 2θ for the first 3 peaks on the XRD pattern, the equation nλ = 2dsinθ was used, along with the lattice parameter equation d = a/sqrt(h^2 + k^2 + l^2). The (111) plane was used to find the lattice parameter, and this value was then used to find the other planes' d values and diffraction angles. It was assumed that a is the same for each set of Miller indices. The resulting 2θ values for the first 3 peaks were 10.7 degrees, 18.4 degrees, and 21.4 degrees for the (111), (200), and (220) planes, respectively
  • #1
SherlockOhms
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Homework Statement


A wavelength of 0.7107 Angstroms is used to analyse a polycrystalline sample with a known FCC lattice structure. The interplanar spacing of the first peak is 0.3 A. Calculate 2θ for the first 3 peaks on the XRD pattern. First 3 peaks occur at (111), (200) and (220).


Homework Equations


nλ = 2dsinθ.
d = a/sqrt(h^2 + k^2 + l^2)


The Attempt at a Solution


I used d = a/sqrt(h^2 + k^2 + l^2) to find the lattice parameter. You're given d for the (111) plane. I then used this value for a to find d for the remaining planes, followed by the diffraction angle for these planes. Was I correct in assuming that a is the same for each and every set of miller indices? I can't see any other way of doing this than this way.
 
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  • #2
(111) plane: a = d/sqrt(1), d = 0.3 A, nλ = 2(0.3)sinθ, θ = 10.7 degrees. (200) plane: a = 0.3/sqrt(2), d = 0.212 A, nλ = 2(0.212)sinθ, θ = 18.4 degrees.(220) plane: a = 0.3/sqrt(4), d = 0.174 A, nλ = 2(0.174)sinθ, θ = 21.4 degrees.
 

1. What is the purpose of calculating 2θ for an XRD pattern of a FCC lattice?

The purpose of calculating 2θ is to determine the angles at which the diffraction peaks occur in the XRD pattern. These angles can then be used to identify the crystal structure and lattice parameters of the sample.

2. How is 2θ calculated for a FCC lattice?

2θ is calculated using the Bragg equation: 2d sinθ = nλ, where d is the interplanar spacing of the lattice, θ is the diffraction angle, n is the order of the diffraction peak, and λ is the wavelength of the X-rays used. For a FCC lattice, the interplanar spacing can be calculated using the lattice parameter (a) and the Miller indices of the planes being diffracted.

3. What is the relationship between 2θ and the lattice spacing in a FCC lattice?

The relationship between 2θ and the lattice spacing (d) is inverse, meaning as 2θ increases, d decreases. This is because a larger diffraction angle indicates a smaller interplanar spacing, and vice versa.

4. Can 2θ be used to determine the lattice parameters of a FCC lattice?

Yes, 2θ can be used along with other information, such as the known wavelength of the X-rays and the Miller indices, to calculate the lattice parameters of a FCC lattice. This is based on the Bragg equation and the relationship between 2θ and d for a FCC lattice.

5. How does the number of diffraction peaks in an XRD pattern of a FCC lattice relate to the number of atoms in the unit cell?

The number of diffraction peaks in an XRD pattern of a FCC lattice is directly related to the number of atoms in the unit cell. Each diffraction peak corresponds to a unique set of planes in the lattice, and the number of diffraction peaks is equal to the number of atoms in the unit cell multiplied by the number of planes that can be diffracted. For a FCC lattice, this results in 4 diffraction peaks, as there are 4 atoms in the unit cell and 3 planes that can be diffracted for each atom.

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