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The reciprocal lattice of HCP lattice

There is a very similar question here Reciprocal Lattice of a non-bravais lattice, but I don't fully understand the answer, and the question is now obsolete so I feel that I should ask it again. How ...
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11 views

Why Nitrides have internal polarization?

Why GaN has internal polarization? I know that in wurtzite crystal structure, the atomistic bonds are not equivalent and as a result there appears a net dipole and consequently a polarization. But ...
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How do I use MAUD for phase quantification of XRD data with AMCSD standards?

I'm a biologist with some raw powder XRD data of biominerals, need to quantify different phases, can't access commercial software or databases at the moment. Does anyone have experience with using ...
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21 views

Reciprocal space maps units

I have seen reciprocal space maps in different units. In some figures, it is represented in delta(l) delta(h) reciprocal space maps units. In some figures it is shown in Q(parallel) and Q(normal) ...
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2answers
39 views

What exactly are crystal planes and how do they reflect x-rays?

What exactly are crystal planes and how do they reflect x-rays? Are crystal planes real physical planes or just an abstract concept? What are these planes made of? If they are an abstraction, what ...
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Why does inelastic X-ray scattering probe the longitudinal dielectric function as opposed to the transverse dielectric function?

Light is a transverse wave. Therefore, light in the optical range (i.e. visible light) couples to transverse collective excitations of a material when measuring the optical conductivity for instance. ...
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1answer
30 views

How many atoms does one need to get reliable crystal information with X ray or electron diffraction?

I know that, in theoretical derivations of X ray diffraction (XRD) or electron diffraction (ED), we always assume an infinite lattice, and, as you make the crystal smaller, edge effects start to ...
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1answer
23 views

Q range calculation

I did a neutron diffraction experiment and I need to figure out which Q range we used. How should I calculate it from the incident wavelength and the diffraction angle?
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1answer
30 views

Why do we still get sharp scattering spots with quasi-crystal?

In a quasi-crystal, there is no translational invariance. This means there is no delta-function in the Fourier transform. But to get a sharp scattering spot, we need a delta function. Physically, ...
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1answer
33 views

EXAFS (Extended X-Ray Absorption Fine Structure) question?

EXAFS (Extended X-Ray Absorption Fine Structure), core electron is excited to the conduction band. The oscillations in the absorption coefficient persist for 100s of eV after the edge. Taking ...
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1answer
41 views

Diffraction, wave length

I read that when we want to study the structure of a crystal we have to use an electromagnetic wave which has a wave length of approximately the distance between two consecutive atoms in the crystal. ...
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78 views

Pseudocubic unit cells: how to construct one?

I keep coming across the term pseudocubic unit cell while reading about orthorhombic perovskite structures. No clear explanation ...
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22 views

Number of reflections for BCC crystal [closed]

I need to calculate the number of reflections expected for the (110) and (200) plane of a BCC crystal. How would you do it?
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1answer
41 views

Electrons scatter light; x-ray diffraction

why accelerated electrons "scatter" light? From Yale's chemistry open class, the professor said when a light passes by an electron, it "pulls" the electron up and down, and emit radiation in all ...
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2answers
104 views

Compute distance between planes in a crystal

I want to compute the distance between two (111) planes in a cubic crystalline structure, in order to do some computations involving Bragg reflection. I have a sketch of which the (111) planes are, ...
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0answers
16 views

Impurities involved in nucleation centres

When magmas begin to crystallise, a first step is the formation of a crystal nucleus around an impurity (nucleation centre), whereby a few of the right atoms get together to form a speck of a crystal. ...
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64 views

Bragg's law - intensity “sensitivity” to lattice spacing or scattering angle

I don't understand this sentence (emphasis added): A consideration of Bragg's law (nλ = 2dsinθ), i.e. the relationship between scattering angle (θ) and the interplanar spacing (d) shows that if ...
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1answer
421 views

Why do quasicrystals have well-defined Fourier transforms?

I was recently reading about quasicrystals, and I was really surprised to learn that even though they do not have a periodic structure, and only have long range order in a very different sense to the ...
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58 views

Electron scattering

I'm trying to figure out the missing step here, in a problem about X-ray crystallography. I am referring to the attached image: In the image, $A =$ electron density, $Z =$ distance traveled, ...
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2answers
216 views

Is the thickness of a sample related to the intensity of x-ray diffraction?

I understand that in general if we're adding more planes of atoms (increasing thickness of sample) then the intensity would increase because we have more constructive interference. But isn't there a ...
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1answer
262 views

X-ray and neutron powder diffraction: peak broadening due to crystal size

When analysing powder diffraction patterns, the broadening of peaks can be used to estimate crystal sizes. Smaller crystal size gives larger broadening according to the Scherrer equation: $$ \beta = ...
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1answer
82 views

If I take an XRD image of a single cubic unit cell, would the diffraction pattern simply be its reciprocal lattice?

I've seen the rings from powder diffraction images, and I read that each line is made up of a lot of dots, I was wondering if these dots are reciprocal lattice points of the structure. And if we ...
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1answer
67 views

Methods for determination of crystal lattice's homogeneity

I know of X-Ray diffraction, which produces a pattern corresponding to the inverse Fourier Transform of the lattice (reciprocal lattice). While this method is widely employed, it provides more ...
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0answers
2k views

How to calculate lattice parameter of wurtzite struture

I am trying to calculate lattice parameter of ZnO (wurtzite). I have found out the formula for calculating lattice parameter of this system from a research article. $\frac{1}{^{d^{2}}}=\frac{H ^{2}+ ...
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1answer
341 views

gaussian fitting of xrd peaks

I am reading a paper regarding the nano crystalline material with hexagonal crystal structure. In that paper in order to find out lattice parameter of hexagonal crystal structure they have fitted a ...
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1answer
279 views

Planes of graphite crystal on diffraction experiments

When doing electron diffraction on graphite (a popular experiment for students at universities) always diffraction at these two planes with distances $d_1$ and $d_2$ are observed: But a plane ...
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1answer
200 views

Algorithm for identifying planes in a Bravais Lattice

I have a lattice with Lattice Vectors $(\vec{t}_1,\vec{t}_2,\vec{t}_3)$ which are NOT orthogonal in general. How can I identify the atoms/unit cells that belong to a plane - that is normal to a given ...
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2answers
319 views

X-ray diffraction from Metals

Is X-ray crystallography is possible for metals? Or not due to absorption?
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1answer
207 views

X-ray diffraction (is it possible?)

Is it possible to extract full lattice structure of a crystal from any of X-ray diffraction methods? (especially that the diffraction pattern is 2-Dimensional most of times)
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149 views

How are X-rays focused? Specifically in XRD. Well do they even focus X-rays in XRD?

I read in a government website that reflecting an x-ray from a parabolic mirror followed by a reflection from a hyperbolic mirror results in focusing the x-ray, but this was for astronomical purposes. ...
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2answers
1k views

Is the index of refraction dependent on the wavelength of light?

I just read in some class notes for a crystallography class that there are no refractive lenses for X-rays because the index of refraction of most materials is close to 1. Is the index of refraction ...
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1answer
84 views

How can I cheat an XRD sample (~10 mg) from a total 1g required? How can I use for the background.

How much can affect (in terms of hump) my X-ray diffraction pattern the "amorphous" glass or maybe someone can suggest me other material to compensate for the small amount of the sample. Note: my ...
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1answer
252 views

Why can I add the Atomic form factors in the calculation of the Diamond Structure factor

When trying to calculate the structur factor for diamond I came across the calculation on the wikipedia. In the calculation they just add up the atomic form factors of alle the atoms in the unit cell ...
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1answer
659 views

Calculating diffraction patterns using FFT

I'm trying to write a piece of code that calculates a diffraction pattern similar to an X-ray experiment using a FFT. From my knowledge, the diffraction pattern for point particles can be calculated ...
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2answers
160 views

X-ray diffraction from crystals and time-averaging

To calculate the elastically scattered intensity of x-rays from crystals, one classically considers scattering from a free electron first and then one sums up the scattered em-fields of all electrons ...
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1answer
116 views

How to estimate number of Laue Spot

Why are "Laue Spots" spots instead of rings? Or is there an effective way to estimate the number of Laue spots? I can't find any formulas or theory concerning this issue. Thanks for your attention!
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2answers
626 views

X-Ray crystallography using Bragg's Law

I was looking up X-Ray crystallography using Bragg's Law: $2d\sin\theta = n\lambda$ and I can understand the values of everything except this integer value $n$. As far as my research got $n$ is ...