X-ray crystallography encompasses the structural characterization of crystalline materials by means of X-rays. This is done most commonly by X-ray diffraction, which can be applied to monocrystalline materials or heterostructures, as well as to polycrystalline materials, where the later is referred ...

learn more… | top users | synonyms

18
votes
1answer
660 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 ...
7
votes
2answers
1k 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 ...
5
votes
2answers
407 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. ...
5
votes
0answers
34 views

Lattice parameters and basis vectors of crystal lattice structures

Does someone know where I can find lattice parameters and basis vectors of crystal lattice structures (Strukturbericht Designation) for different materials? In particular I am searching the lattice ...
3
votes
2answers
658 views

X-ray diffraction from Metals

Is X-ray crystallography is possible for metals? Or not due to absorption?
3
votes
2answers
213 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 ...
3
votes
1answer
126 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 ...
3
votes
1answer
633 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 ...
3
votes
1answer
39 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, ...
3
votes
1answer
279 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 ...
2
votes
2answers
890 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 ...
2
votes
1answer
268 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)
2
votes
1answer
74 views

Space group setting of a crystal structure

I was reading a PDF of a crystal phase in order to draw its structure, when I noticed that it was, apparently, ambiguously described. The PDF lists two descriptions of the monoclinic structure: 1) ...
2
votes
2answers
392 views

Software to calculate and visualize reciprocal lattice

I am currently preparing XRD experiments for an epitaxial thin film on a silicon wafer. I am looking for software (Win oder Mac) to calculate the reciprocal lattice from the cell parameters and ...
2
votes
1answer
113 views

Zero Diffraction Plates: Why do they give such low diffraction signals?

In our laboratory we use silicon plates named "Zero Diffraction Plates". They are named so because they give extremely low diffraction signals in an XRD instrument (reflection mode). But how are these ...
2
votes
2answers
75 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 ...
2
votes
1answer
80 views

Getting the ($hkl$) Miller indices from the angle of incidence of a light ray

I was given an X-ray diffraction lab this week. We measured the count rate for different angles $2\theta$ of the rotation of the detector. From these measurements we plotted a graph of 2theta vs the ...
2
votes
2answers
624 views

X-ray diffraction analytical principle - diffraction or reflection?

I am an MSc in analytical chemistry, currently working with x-ray diffraction. The technique is called "x-day diffraction", but are not the x-rays reflected? Max von Laue discovered that x-rays were ...
2
votes
2answers
151 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 ...
2
votes
1answer
82 views

Are the 14 Bravais lattices really distinct?

I have learned that there are 14 distinct Bravais lattices in 3D and any other thought lattice form could be reduced to or expressed in one of these 14 forms. But the primitive unit cell for f.c.c ...
2
votes
0answers
201 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 ...
1
vote
1answer
62 views

Is crystal diffraction actually diffraction?

It seems like a very common model that is taught in schools for crystal diffraction is that there is an incident plane wave of light on a crystal lattice, and each atom in the lattice scatters the ...
1
vote
1answer
206 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?
1
vote
2answers
571 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 ...
1
vote
2answers
119 views

x-ray diffraction of crystals

In explaining x-ray diffraction of crystals, usually the approach is to consider the atoms absorb radiation and scatter it, at some angles constructive interference occur and bright spots can be ...
1
vote
1answer
60 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. ...
1
vote
1answer
458 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 = ...
1
vote
1answer
894 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 ...
1
vote
1answer
439 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 ...
1
vote
0answers
31 views

Space groups and crystals. Simple example for the diamond structure

I try to learn the basis notions in crystallography and space group. But I already fail at the beginning. Let me give you an example: Consider the diamond structure (space group $Fd\overline 3 m$, ...
1
vote
0answers
25 views

Structure Factor for a Simple BCC Lattice

This is an example of a general misunderstanding I am having. The structure factor is given by $$S=\sum_{j}f_je^{i\mathbf{G}.\mathbf{x_j}}$$ where the index $j$ denotes a sum over the atoms within a ...
1
vote
0answers
35 views

Can the hole concentration of cuprate superconductors generally be determined from lattice parameters?

As it is known, in YBCO superconductors, lattice parameters are strongly dependent on hole concentration, so hole concentration can be determined by measuring the c-axis parameter, see e.g. "Oxygen ...
1
vote
1answer
45 views

Process of x-ray crystallography

This is a pretty basic question but I would just like some confirmation of what I suspect is true. As I understand it, the basic idea behind x-ray crystallography is that we take our crystal and hit ...
1
vote
0answers
63 views

Four dimensional Bravais lattice

I am wondering if there are any reference on four dimensional Bravais lattice and their primitive vectors, even an example will help.
1
vote
0answers
182 views

How to identify a crystal structure by its x-ray reflection bragg angles?

How to identify a crystal structure by its x-ray reflection bragg angles? Suppose we have a crystal sample to examine its crystal structure (e.g. SC, BCC, FCC, etc). What we can get from an X-ray ...
1
vote
1answer
58 views

X-ray diffraction analyisis: The angle of elastic x-ray scattering

What is the scattering angle distribution for x-rays (in the 8keV range) scattered elastically? I work with XRD analysis, which is fundamentally basede on these elastic scatterings of x-rays. I read ...
1
vote
0answers
918 views

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 ...
1
vote
0answers
195 views

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 ...
1
vote
0answers
81 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) ...
1
vote
0answers
88 views

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. ...
1
vote
0answers
32 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?
1
vote
1answer
159 views

Structure factor of crystals (X-ray crystallography)

How can one prove that the degree of each node in a distance graph must be at least four in order to obtain a unique solution to an exact distance geometry problem with sparse distance data? The ...
1
vote
1answer
39 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 ...
0
votes
1answer
140 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 ...
0
votes
2answers
2k 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 ...
0
votes
1answer
181 views

X-ray diffraction on thin film

As far as I am concerned, when we perform an X-ray diffraction experiment using a Bragg-Brentano diffractometer using the "powder method" we have that the scattering pattern depends on only one angle ...
0
votes
2answers
44 views

What is an off-axis peak in x-ray diffractometry?

I'm looking at a $\theta$ - 2$\theta$ pattern of my thin film which in bulk is cubic (bcc) and I see 001 and 002 peaks of the film. There is supposed to be a tetragonal distortion meaning that I need ...
0
votes
1answer
43 views

How do atoms scatter X-rays?

I am learning the theory behind X-ray diffraction but I have a question. According to the textbook I am using, X-ray tubes (in diffractometers) produce near monochromatic X-rays. In other words, they ...
0
votes
1answer
40 views

How can we prove that each point (hkl) in the reciprocal lattice corresponds to a set of lattice planes (hkl) in the real space lattice?

In crystallography, we always speak about the direct and reciprocal lattice spaces. One property about these spaces in mentioned here, as follows: Each point (hkl) in the reciprocal lattice ...
0
votes
1answer
50 views

What is the reason that EXAFS are done with monochromatic x-ray light?

Why is the light incident on the samples in EXAFS experiments monochromatic? What would happen if a broad bandwidth hits a grating and then all the diffraction spectrum goes through the sample and is ...