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Data Activities in Crystallography

[Databases special issue of Acta
Cryst. Sections B and D]

Acta Crystallographica Sections B and D joint special issue on crystallographic databases


Primary Crystallographic Databases

These are the major public databases of crystal structure and related data. They are generally maintained by large organisations and are valuable resources for the benefit of science as a whole.
BMCD: Biological Macromolecule Crystallization Database
CRYSTMET: Metal and intermetallic structures
CSD: Cambridge Structural Database of organic and metal-organic structures
ICSD: Inorganic Structural Database
ICSD: Web interface to Inorganic Structural Database: ICSD-for-Web
NDB: Nucleic Acid Database
The Pauling File
PDB: Protein Data Bank
PDF: Powder Diffraction File of the International Center for Diffraction Data

Secondary Crystallographic Databases

These are academic or small-scale databases which are not maintained with the same level of longevity or security that is expected of the primary Databases.


Incommensurate structures


Mineralogy and naturally occuring crystals

Powder diffraction

Surface structure

Related Databases

These are links to other databases in other subject areas that are nevertheless of interest to crystallographers.

Biomolecular structural science

Disordered materials

Materials science

Physical and chemical data


Database services

Coordination of data activities

Data formats

Long-term preservation and access

14 October 2002 - IUCr CODATA Representative - Copyright © International Union of Crystallography