Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

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...

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...

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...

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...

Unit Cells

Unit Cells

A crystal's internal structure is an orderly array of atoms, ions, or molecules, and the details of this array significantly influence the solid's properties. In a crystal, periodically repeating 'structural motifs' - which could be atoms, molecules, or groups thereof - create a 'space lattice.' This is essentially a three-dimensional, infinite array of points, each surrounded by its neighbors in an identical way, forming the basic structure of the crystal.A 'unit cell' is a theoretical...

Crystal Field Theory - Tetrahedral and Square Planar Complexes

Crystal Field Theory - Tetrahedral and Square Planar Complexes

Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by

Same author

Lessons learned from the development of a hidradenitis suppurativa xenograft mouse model.

Clinical and experimental dermatology·2019

Same author

Toxicity of VectoLex (Bacillus sphaericus) products to selected Australian mosquito and nontarget species.

Journal of economic entomology·2004

Same author

Prospects for technological countermeasures against driver fatigue.

Accident; analysis and prevention·1997

Same author

Driver fatigue.

Human factors·1994

Same author

The prevalence of depression in a high school population.

Adolescence·1993

Same author

'Orthodontic relapse'.

British dental journal·1992

Search research articles

Related Experiment Video

Updated: Mar 12, 2026

$Microcrystallography of Protein Crystals and In Cellulo Diffraction$

Microcrystallography of Protein Crystals and In Cellulo Diffraction

Published on: July 21, 2017

CIF (Crystallographic Information File): A Standard for Crystallographic Data Interchange.

¹Brockhouse Institute for Materials Research, McMaster University, Hamilton, Ontario, Canada.

Journal of Research of the National Institute of Standards and Technology

|January 1, 1996

Summary

This summary is machine-generated.

The Crystallographic Information File (CIF) uses a STAR file structure, requiring a data dictionary. Storing this dictionary as a STAR file makes crystallographic data computer interpretable, enabling automated information handling.

Keywords:

STAR files crystallographic information file structures relational databases

More Related Videos

Derivatization of Protein Crystals with I3C using Random Microseed Matrix Screening

Derivatization of Protein Crystals with I3C using Random Microseed Matrix Screening

Published on: January 16, 2021

Author Spotlight: Advancing Protein Structure Analysis for Drug Development

Author Spotlight: Advancing Protein Structure Analysis for Drug Development

Published on: March 8, 2024

Related Experiment Videos

Last Updated: Mar 12, 2026

$Microcrystallography of Protein Crystals and In Cellulo Diffraction$

Microcrystallography of Protein Crystals and In Cellulo Diffraction

Published on: July 21, 2017

Derivatization of Protein Crystals with I3C using Random Microseed Matrix Screening

Derivatization of Protein Crystals with I3C using Random Microseed Matrix Screening

Published on: January 16, 2021

Author Spotlight: Advancing Protein Structure Analysis for Drug Development

Author Spotlight: Advancing Protein Structure Analysis for Drug Development

Published on: March 8, 2024

Area of Science:

Crystallography
Data Science

Background:

The Crystallographic Information File (CIF) employs the self-defining STAR file structure.
A foundational dictionary for small molecule crystal structure descriptions was established in 1991.
This dictionary is currently utilized for submissions to Acta Crystallographica C.

Purpose of the Study:

To outline the structure and requirements of the Crystallographic Information File (CIF) data dictionary.
To introduce the concept of storing the dictionary itself as a STAR file.
To highlight the potential for computer interpretability and automated handling of crystallographic data.

Main Methods:

Utilizing the STAR file structure for data definition.
Developing and extending a dictionary of crystallographic data names and definitions.
Implementing the dictionary as a STAR file for enhanced machine readability.

Main Results:

The CIF relies on a self-defining STAR file structure and a comprehensive data dictionary.
Extensions to the initial dictionary are under development.
Storing the dictionary as a STAR file enhances computer interpretability of crystallographic data.

Conclusions:

The STAR file-based dictionary for CIF significantly advances the computer interpretability of crystallographic information.
This approach opens avenues for the automatic processing and management of crystallographic data.
Further development of dictionary extensions will broaden its applicability.