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Crystallography

Guide to Reference Sources



This bibliography is intended as a basic guide to important resources in this subject area.

HANDBOOKS

Atlas of crystal structure types for intermetallic phases.
TN 690.4 D33 1991 Engineering Library Reference, 4 vols.
Companion set to Pearson's Handbook (below), containing 2-D and 3-D drawings of structure types, histograms of surrounding atoms, and coordination polyhedrons.

Atlas of surface structures.
QD 506 A85 1994 Chemistry Reference, 2 vols.
Atomic position and substrate lattice information on 600 surface structures from the NIST Surface Structure Database.

Barker index of crystals.
QD 908 P6 Chemistry Stacks, 3 vols. in 7 (1951-65)
Vol. 1= tetragonal, hexagonal, trigonal, orthorhombic systems; v. 2= monoclinic; v. 3= anorthic. Part 1 of each volume contains tables of classification angles, refractive indices, densities and melting points; part 2 contains the crystal descriptions. Based largely on Groth's Chemische Kristallographie.

Crystal data: determinative tables. 3rd ed.
QD 908 D663 Chemistry Reference
Series covers all crystallographic phases, excluding proteins. Entries are ordered within each system according to transformed values of a/b, c/a, or a, and include unit cell dimensions, space group, Z, densities, morphological and optical properties, and bibliographic information. Vols 1 and 3 cover organic and organometallic compounds for the literature up to 1984; vols 2 and 4 cover inorganics through 1969. Each volume has name and/or formula indexes.

Crystal structures. (Wyckoff)
2nd ed. 1963-71, 6 vols. in 7
QD 951 W82 1963 Chemistry Stacks
Considered a classic work in its field, this monograph contains descriptions of atomic positions and x-ray measurements of various crystal types, with literature references. Vols. 1-4: elements and inorganics; vol. 5: aliphatic compounds; vol. 6: benzene derivatives.

Dana's new mineralogy.
QE 372 D23 1997 Chemistry Reference
This classic handbook provides crystallographic data for thousands of minerals, arranged systematically.

Gmelin handbook of inorganic and organometallic chemistry.
8th ed., 1918-98
Reference Stacks
This large systematic handbook series includes information on crystal structure and properties of inorganic and organometallic compounds. Volumes are arranged by chemical element. Consult the formula indexes to locate specific compounds. Text in German prior to 1988.

International tables for crystallography.
QD 908 I56 Chemistry Reference, Stacks
This set of handbooks, published for the International Union of Crystallography, provides authoritative reference text and tables. The latest edition of each volume is shelved in the reference collection. Supersedes and revises the classic International Tables for X-Ray Crystallography.
Volume A: Space-group symmetry.
Volume B: Reciprocal space.
Volume C: Mathematical, chemical, and physical tables.
Volume D: Physical properties.
Volume E: Subperiodic groups.
Volume F: Crystallography of biological macromolecules.
Volume G: Definition and exchange of crystallographic data.

Landolt-Börnstein.
Reference Stacks
This major handbook source is the most comprehensive printed compilation of numerical data in the physical sciences. Vol. I, Part 4 of the 6th edition (base set) and Group III of the New Series cover structure and properties of solid state materials and crystals in particular. Consult the small index volume as a shortcut into the volumes.

Molecular structures and dimensions.
15 vols. 1970-84
QD 921 M643, Chemistry Stacks
Classified bibliography of published literature (1935-83) on organic, organometallic, and metal complex crystal structures. Compiled by the Cambridge Crystallographic Data Center (CCDC); this set became the basis for the Cambridge Structural Database.*

Pearson's handbook of crystallographic data for intermetallic phases.
TN 690.4 V55 1991 (2nd ed.) Engineering Reference
TN 690.4 P43 1985 (1st ed.) Chemistry Reference
50,000 phase entries providing unit cell dimensions, space group, and references. With 7 indexes, including Pearson symbol, space group number, structure type, and mineral name.

Point-group theory tables.
QD 911 A48 1994
Symmetry tables for 75 point groups up to rotation axes of order ten.

Powder diffraction file.
QC 482 D5 P62 1960 (Inorganic) Chemistry Stacks
QC 482 D5 P69 1960 (Organic) Chemistry Stacks
Numeric X-ray diffraction data for solids. Library owns sets 1-30.

Structure reports.
QD 901 S91 (1913-87) Chemistry Stacks
Originally titled Strukturbericht (vols. 1-7) this annual series indexed crystallographic structure determinations from the literature. In 1965 the series split into: Section A (metals and inorganics) and Section B (organics). Reports give name, formula, unit cell and space group data, analysis details, atomic positions, and structure description. Each volume has name and formula indexes, and there are cumulative indexes for 1913-73 and 1913-80 (Sect. A only).

Section A was the basis for the Inorganic Crystal Structure Database; section B has been incorporated into the Cambridge Structural Database. (See note below.)

Tables of interatomic distances and configuration in molecules and ions.
QD 461 T31 1958 Chemistry Reference
QD 461 T312 1965 (Supplement) Chemistry Reference
Main table is divided into inorganic (by periodic group) and organic (by empirical formula) sections, giving bond lengths and angles and distances, symmetry, and structural diagrams. Classified name index in supplement covers both volumes.

TYPIX.
Shelved with Gmelin Handbook, in Reference Stacks
"Standardized data and crystal chemical characterization of inorganic structure types." TYPIX is a critical compilation of crystallographic data for 3206 compounds representing structure types found among inorganic compounds. The purpose of this 4-volume set is to clarify and classify published data for intermetallic and other inorganic structures. Literature coverage through 1993.


KEY JOURNALS

Check the Library Catalog for holdings and location information of these and other journals.

  • Acta Crystallographica. Sections A,B,C,D,E 1948-
  • Crystal Growth and Design. 2001-
  • Crystal Structure Communications. 1972-82
  • Journal of Applied Crystallography. 1968-
  • Journal of Chemical Crystallography. 1994-
  • Journal of Crystal Growth. 1967-


DATABASES

SciFinder Scholar
Online access to the Chemical Abstracts family of databases, including Chemical Abstracts (1907- ) and Registry. Search for crystallographic information for specific substances by doing a search on the substance's name or registry number, then limiting literature retrieval by "Crystal structure." Access to SciFinder is through client software available on selected library workstations and for installing on personal computers.

Chemical Abstracts - Student Edition
A subset of the full CA file, containing indexing back to 1967 for about 300 widely held core journals in the chemical sciences.

Inspec
Index covering extensively the literature of physics and electrical engineering.

see more The Web offers a number of free repositories for crystallographic information. For selected links see the Electronic Chemistry Library.

* UT-Austin does not currently have site-licenses for the major crystallographic structure depository databases, but these links are provided for more information: