Crystallography

A guide to Web and Library sources of crystallographic data.

International Union of Crystallography: Includes descriptions of publications, services, activities; book reviews appearing in IUCR journals
Indiana University Molecular Structure Center: Contains crystallographic data, links, news.
Reciprocal Net: Database of molecular structures from a number of crystallographic laboratories, common molecules, crystallographic tutorials.
American Crystallographic Association: Contains ACA meetings, newsletter, services information, links to crystallographic sites.
Crystal lattice structures: An index of 78 common crystal lattice structures.
Database of zeolite structures, Structure Commission of the International Zeolite Association
Making matter: the atomic structure of materials, Institut Laue Langevin: 3D structural images and summaries on inorganic structure.
Cambridge Crystallographic Data Centre: Has descriptions of the CCDC's products including the Cambridge structural database which has crystal structures and data for over 190,000 organic and metal organic compounds based on X-ray or neutron diffraction techniques. The Chemistry Department has access to the Cambridge structural database.
Crystal structure report archive, University of Southampton
Molecular structures and dimensions: bibliography: organic and organometallic crystal structures. (Crystallographic Data Centre, Cambridge). 1935-1984. Cumulative index, 1935-76.: Main collection 548.05 M7185
A printed predecessor to the bibliographic content of the Cambridge structural database, indexing the literature (but not containing data itself) by chemical name, formula, author, chemical diagram.
Tables of interatomic distances and configurations in molecules and ions. L.E. Sutton. Chemical Society, 1958 and 1965.: Has data (bond length, bond angle) for organic and inorganic molecules and ions, and metals and literature references. Covers the literature to 1959.
Main collection 540.6 C51s 11,18
Continued in part by:
Interatomic distances 1960-65: Organic and organometallic crystal structures. O. Kennard. Crystallographic Data Centre, Cambridge, 1972. Molecular structures and dimensions, volume A1.: Main collection 548.05 M7185a
Data include bond length, bond angle, torsion angle, chemical and crystallographic diagrams, space group, with a reference to the original literature source.
Structure reports. International Union of Crystallography, 1913 - 1973 (section B)/1990 (section A): A. Metals and inorganic compounds. B. Organic and organometallic compounds. Main collection 549.05 S9
Contains unit cell and space group data, bond length and bond angle, diagrams and other crystal data and literature references. Has name/formula indexes in each volume and cumulative indexes: 1913-1990 for section A and 1913-1973 for section B.
BIDICS: Bond index to the determinations of inorganic crystal structures. 1969-81.: Main collection 548.05 B108
An index to the crystallographic literature covering inorganic and organometallic compounds. Has an alphabetical index of bond types (e.g. O-S) present in the structure and a mineral name index. The list of articles is arranged by journal name.
Landolt-Bornstein: Numerical data and functional relationships in science and technology. New series.: Reference collection 541.9 L25Z
Crystal structure data is contained in the following volumes:
III/5, 1971 and III/10, 1985: Structure data of organic crystals
III/6, 1971 and III/14, 1986-1988: Structure data of elements and intermetallic phases.
III/7, 1973-1987: Crystal structure data of inorganic compounds.
III/8, 1972: Epitaxy data of inorganic and organic crystals
Substances are arranged by formula. Data include: space group, lattice constants, density, sometimes other physical data, literature references.
Standard X-ray diffraction powder patterns. 1953-1985. National Bureau of Standards circular, 539 sections 1-10 and National Bureau of Standards monograph, 25 sections 1-21.: Main collection 530.806 U58c 539 and 530.806 U58m 25
Contains experimental and calculated standard X-ray diffraction patterns and crystal data (lattice constants, space group, density, refractive index) for inorganic and organic compounds. Has cumulative chemical name indexes in each issue.
Crystallography in modern chemistry: a resource book of crystal structures. T.C.W.Mak. John Wiley, 1992.: Reference collection 548 M235c
Covers crystal data and structures of organic, inorganic, organometallic and inclusion compounds with detailed surveys of compounds representing principal crystal structure types. Has extensive references to the literature.
Crystal data: determinative tables. J.D. Donnay. 2nd ed, 1963.: Main collection 548 D68
Contains unit cell and space group data, specific gravity and literature references for organic and inorganic compound. Has name and formula indexes.
Crystal structures. R.W.G. Wyckoff. 2nd ed. Wiley, 1963-71. 6 vols.: Main collection 548 W97c.2
Unit cell and space group data, bond length, bond angle, structures of inorganic and organic compounds. Has name and formula indexes.
International tables for x-ray crystallography. 2nd ed. 1968-74. 4 vols.: Reference collection 548 I6
and its partial replacement:
International tables for crystallography.: Vol A. Space group symmetry. 1983. Brief Teaching Edition. 1993.
Reference collection 548.0212 I61
Laue atlas: plotted Laue back-reflection patterns of the elements, the compounds RX & RX2. 1974.: Reference collection 548.83 P9431
Pearson's handbook of crystallographic data for intermetallic phases. 1985. 3 vols.: Main collection 548.8 V725p
Data for metals and alloys.