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Determination of Crystal Structures

Determination of Crystal Structures

In the late 1800s, the revelation that light extended beyond visible wavelengths led to the discovery of X-rays by Wilhelm Roentgen. Recognized as high-energy electromagnetic radiation with short wavelengths, X-rays prompted exploration into their interaction with crystals. Max von Laue proposed in 1912 that the periodic arrangement of atoms, ions, or molecules in crystals would cause them to diffract X-rays, a hypothesis confirmed through experiments with copper sulfate and zinc sulfide...

X-ray Crystallography

X-ray Crystallography

The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...

$X-ray Diffraction of Biological Samples$ 01:10

X-ray Diffraction of Biological Samples

X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are scattered by the electron clouds around the sample atoms. The X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal crystal...

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Updated: May 15, 2026

$X-ray Powder Diffraction in Conservation Science: Towards Routine Crystal Structure Determination of Corrosion Products on Heritage Art Objects$

X-ray Powder Diffraction in Conservation Science: Towards Routine Crystal Structure Determination of Corrosion Products on Heritage Art Objects

Published on: June 8, 2016

Evolution of diffraction methods for solving crystal structures.

Wayne A Hendrickson¹

¹Department of Biochemistry and Molecular Biophysics, Columbia University, New York, NY 10032, USA. wayne@xtl.cumc.columbia.edu

Acta Crystallographica. Section A, Foundations of Crystallography

|December 20, 2012

Summary

This summary is machine-generated.

X-ray diffraction, discovered in 1912, revolutionized understanding of matter structure. Lawrence Bragg pioneered its use in structure determination, leading to breakthroughs in crystallography and biological macromolecule analysis.

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Area of Science:

Physics
Chemistry
Biology
Crystallography

Background:

The 1912 discovery of X-ray diffraction by Laue and colleagues.
Early implications for diffraction physics, X-radiation, and matter structure.
Lawrence Bragg's foundational contributions to the field.

Purpose of the Study:

To highlight Lawrence Bragg's pivotal role in X-ray diffraction.
To emphasize the development of structure determination techniques.
To underscore the impact of crystallography on science.

Main Methods:

Utilizing X-ray diffraction data for structure determination.
Applying principles of diffraction physics.
Analyzing crystal structures.

Main Results:

Significant advancements in understanding matter structure.
Development of methods for determining crystal structures.
Pioneering work on the first protein crystal structures.

Conclusions:

X-ray diffraction and crystallography have profoundly impacted chemistry and biology.
Lawrence Bragg's innovations were crucial for structure determination.
Crystallography remains vital for studying biological macromolecules.