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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...

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...

$X-ray Diffraction of Biological Samples$ 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...

Crystal Growth: Principles of Crystallization

Crystal Growth: Principles of Crystallization

Crystallization is a phase transformation process in which crystals are precipitated from a supersaturated solution or formed from other sources. During crystallization, atoms or molecules arrange themselves into a well-defined, rigid crystal lattice to minimize energy.
Initiating crystallization involves manipulating the concentration of the solute and the temperature of the solution. Since crystal growth occurs when the ratio of concentration and solubility of the solute in the solvent – the...

Crystallographic Point Groups

Crystallographic Point Groups

Crystallographic point groups represent the various symmetry operations that can occur within crystals. They are unique in that at least one point will always remain unchanged during these actions. For instance, consider the triclinic system. This system, devoid of any axis or plane of symmetry, aligns with the C1 and Ci point groups.where Cᵢ is characterized solely by a center of inversion.Contrastingly, the monoclinic system introduces an element of symmetry. This system with one plane and...

Crystal Field Theory - Octahedral Complexes

Crystal Field Theory - Octahedral Complexes

Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...

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Related Experiment Video

Updated: Jun 17, 2026

X-Ray Crystallography to Study the Oligomeric State Transition of the Thermotoga maritima M42 Aminopeptidase TmPep1050

X-Ray Crystallography to Study the Oligomeric State Transition of the Thermotoga maritima M42 Aminopeptidase TmPep1050

Published on: May 13, 2020

Crystallography in Open Science and its open educational resources.

John R Helliwell¹

¹Department of Chemistry, University of Manchester, Manchester, United Kingdom.

Acta Crystallographica. Section A, Foundations and Advances

|June 16, 2026

Summary

This summary is machine-generated.

Open Science principles are crucial for crystallography, with diverse global policies influencing data sharing. Crystallography offers a mature model for responsible openness, informing current Open Science development.

Keywords:

Open Data Open Science central facilities citizen science data archives databases foundations of crystallography global perspectives open educational resources science policy

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Last Updated: Jun 17, 2026

X-Ray Crystallography to Study the Oligomeric State Transition of the Thermotoga maritima M42 Aminopeptidase TmPep1050

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Published on: May 13, 2020

Fully Autonomous Characterization and Data Collection from Crystals of Biological Macromolecules

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Crystallization and In Situ Room Temperature Data Collection Using the Crystallization Facility at Harwell and Beamline VMXi, Diamond Light Source

Crystallization and In Situ Room Temperature Data Collection Using the Crystallization Facility at Harwell and Beamline VMXi, Diamond Light Source

Published on: March 8, 2024

Area of Science:

Crystallography and Open Science

Background:

Open Science development is rapidly evolving globally, with varying policies in the UK, China, Europe, and the USA.
The International Union of Crystallography (IUCr) plays a role in navigating these Open Science policies and activities.

Purpose of the Study:

To review the landscape of Open Science development and its specific relevance to the field of crystallography.
To examine the International Union of Crystallography's (IUCr) engagement with Open Science initiatives and policy recommendations.
To assess how crystallography's practices align with and can inform contemporary Open Science policies.

Main Methods:

Review of global Open Science policies (UK, China, Europe, USA).
Analysis of the International Union of Crystallography's (IUCr) participation in scientific and societal organizations.
Examination of the practical environment for crystallographers, including funding, government, and institutional factors.

Main Results:

Crystallography's practices align with Open Science principles, offering a mature model of responsible openness.
The IUCr actively participates in Open Science discussions and provides open educational resources like the Online Dictionary of Crystallography.
Existing crystallographic practices can inform and guide the development of contemporary Open Science policies.

Conclusions:

Crystallography serves as a valuable, practice-based model for responsible openness that can significantly inform current Open Science policy development.
The IUCr's engagement and resources demonstrate a commitment to open principles within the field.
Understanding the diverse global policies and the practical landscape is essential for advancing Open Science in crystallography.