# Tagged Questions

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 ...

697 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 ...
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 ...
477 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. ...
84 views

### Neutron diffraction on Salty Ice VII

Can someone explain in layman's term how this figure shows the presence of Cl and Li ions in Ice VII ? What can we deduce about the crystal from this data ? The whole figure and caption are ...
52 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 ...
89 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 ...
45 views

### X-Ray diffraction - Braggs law

"Based on the Bragg equation, if crystal A has larger spacing in its diffraction pattern than crystal B, what conclusion can you draw about the spacing between layers of atoms in A compared with B?" ...
704 views

### X-ray diffraction from Metals

Is X-ray crystallography is possible for metals? Or not due to absorption?
216 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 ...
32 views

### What are some resources for learning about x-ray powder diffraction?

I am looking for up-to-date, applied resources to learn about x-ray powder diffraction. There is a lot of jargon with which I am unfamiliar. I am trying to refine theoretical curves to collected data ...
141 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 ...
679 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 ...
41 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, ...
282 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 ...
39 views

### What is the current status of the field of quasicrystal?

So this is a soft question. I am just wondering what is the current status of the field of quasicrystals? Does this kind of material have any real life application? Is it a possible playground for ...
909 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 ...
271 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)
103 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) ...
472 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 ...
146 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 ...
49 views

### What exactly is the reciprocal lattice and how is it connected to the Ewald sphere?

I want to understand what the reciprocal lattice is and how it is connected to the Ewald sphere. I know a very similar question has been asked on this site already: Reciprocal lattices. The top ...
93 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 ...
762 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 ...
163 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 ...
84 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 ...
217 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 ...
67 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 ...
27 views

### How to convert intensity arbitray units to percentage in a XRD data?

In powder x ray diffraction result contains mainly two values 2theta and intensity where 2theta is in degree's and intensity is in arbitrary unit ...
244 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?
630 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 ...
35 views

### Distance between adjacent planes in a crystal

This question has been asked before, but there doesn't seem to be a decent answer. Many sources state that " For cubic crystals with lattice constant a, the spacing d between adjacent (â„“mn) lattice ...
142 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 ...
65 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. ...
472 views

39 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 ...
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 ...
68 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.
209 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 ...
64 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 ...
998 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 ...
216 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 ...
86 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) ...