Chemistry: Crystallography

Inorganic Crystal Structure Database (ICSD)

Inorganic Crystal Structure Database (ICSD)
ICSD is the worlds largest database for fully identified inorganic crystal structures. It currently contains about 188,000 crystal structures. Updates are made twice a year (in spring and in fall) with data taken from scientific journals and other sources. About 4,000 structures are added to ICSD each year. The oldest records date back to the year 1913 and contain information from publications by William Henry Bragg and his son.

Cambridge Structural Database (CSD)

We have a site license (unlimited users), and there are two versions:

Cambridge Structural Database (CSD): WebCSD
Established in 1965, the CSD is the worlds repository for small-molecule organic and metal-organic crystal structures. The CSD currently contains almost 800,000 entries from x-ray and neutron diffraction analyses, and is continually updated with new structures (>50,000 new structures each year) and with improvements to existing entries.

Access note: Java v1.5.0 or higher is required to run WebCSD. Pop-up blocking software must be disabled.
Access is restricted to current students, faculty, and staff of the University of Saskatchewan, and walk-in users, for educational, research, and non-commercial personal use. Systematic copying or downloading of electronic resource content is not permitted by Canadian and international copyright law.
Cambridge Structural Database System (CSDS): Download Version
Established in 1965, the CSD is the worlds repository for small-molecule organic and metal-organic crystal structures. The CSD currently contains almost 800,000 entries from x-ray and neutron diffraction analyses, and is continually updated with new structures (>50,000 new structures each year) and with improvements to existing entries.
Access is restricted to current students, faculty, and staff of the University of Saskatchewan, and walk-in users, for educational, research, and non-commercial personal use. Systematic copying or downloading of electronic resource content is not permitted by Canadian and international copyright law.

International Tables for Crystallography

This is the interactive version of the International Tables for Crystallography, and the definitive resource and reference work for crystallography:

International Tables for Crystallography

We also have the print versions in the Science Library reference collection:

International Tables for Crystallography by Theo Hahn (Editor) International Tables for Crystallography is the definitive resource and reference work for crystallography and structural science. Each of the eight volumes in the series contains articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the structure and properties of materials. Emphasis is given to symmetry, diffraction methods and techniques of crystal-structure determination, and the physical and chemical properties of crystals. The data are accompanied by discussions of theory, practical explanations and examples, all of which are useful for teaching. Volume A treats crystallographic symmetry in direct or physical space. It contains extensive tabulations and illustrations of the 17 plane groups, the 230 space groups and the 32 crystallographic point groups. Parts 1-5 of the volume present introductory material, including lists of symbols and terms, a guide to the use of the space-group tables, and the determination of space groups. Later parts discuss aspects of symmetry theory, such as crystal lattices and normalizers of space groups. Thoroughly updated and improved, the latest edition of Volume A includes an additional chapter on further properties of lattices.
Call Number: QD908 .I.56 2002 [Science Library Reference]
ISBN: 0792365909
Publication Date: 2005

Crystallography Open Database

Crystallography Open Database: An open-access collection of crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers. All data on this site have been placed in the public domain by the contributors.