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This document is a guide to the literature located in the University of Illinois at Urbana-Champaign (UIUC) Libraries and important resources available elsewhere. |
Prepared by: |
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Click here for the SLA Power Point presentation about this website. |
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CHX |
333-3737 |
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ENX |
333-3576 |
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GEX |
333-1266 |
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PHX |
333-2101 |
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STX |
333-2079 |
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NOS |
Not available at UIUC |
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Crystallography is the science of examining materials on the atomic scale. This includes defining molecular structure, identifying all the atoms present along with their space patterns, and establishing correlation with the substances' physical and chemical properties.
The crystallographic data compiled through the use of x-ray diffraction, electron microscopy, and other techniques is of great interest to researchers in the fields of chemistry, solid state physics, materials science and biology.
Crystallography was one of the first scientific disciplines to computerize and one of the first to create numerical scientific databases. Over the past 40 years, virtually all structure determinations have been archived in databases which allow easy access and complete coverage.
Other Terms: (Loosely derived from definitions provided by Pearson 1992 and Santeega 1997.)
Crystal Structure: The arrangement of ions, atoms, and molecules in a
crystal. The symmetry and geometry exhibited by their arrangement are
part of the structural properties.
Crystal Symmetry: The balanced proportions present in cubes, hexagonal
or rectangular prisms and other polyhedra.
Crystal System: Any one of the seven independent unit cell shapes
possible in three-dimensional crystal structures (cubic, tetragonal,
orthorhombic, hexagonal, trigonal , monoclinic, and triclinic).
Diffraction: The interference phenomenon of waves when they travel
through a grating in their path. In x-ray diffraction, the crystal is the
grating.
Lattice: A periodic array of points in space. The spacing of the
atomic planes.
Pearson symbol: indicates the crystal symmetry and the number of
atoms in the unit cell.
Phase: A crystalline, liquid or gaseous state of matter.
Plane Group: A group of operations (rotations, reflections, etc) which
leave a regular, periodic structure in a plane unchanged.
Space Group: Any of the ways in which the orientation of a crystal can
be changed without seeming to change the position of its atoms.
Symmetry Element: A process that brings the crystal or object back
to itself.
Symmetry Group: A point group or space group consisting of symmetry
elements. A group consists of a set of elements with a defined group
pairing operation.
Unit Cell: The smallest parallelpiped shaped object which, when stacked
repetitively in three dimensions, generates the entire crystal structure.
Wyckoff Notation: A letter representing a set of
symmetry-equivalent positions in a space group.
Societies
Research Centers
|
Call Number |
Title |
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548 |
World Directory of Crystallographers and Other Scientists Employing Crystallographic Methods. 9th ed. Edited by Y. Epelboin. International Union of Crystallography. Dordrecht, 1995. Also available at http://www.iucr.ac.uk/iucr-top/wdc/ |
List of Publications or Contents
|
Call Number |
Title |
|
Q.669.94 |
Atlas of Crystal Structure Types for Intermetallic Phases. Edited by J.L.C. Daams, et al. Materials Park, OH: ASM International, 1991. 4 volumes. ISBN: 0-87170-421-8 Contains detailed graphical representations for crystal structures and compositions of multicomponent intermetallic compounds. Provides detailed crystallographic data, 2-D and 3-D drawings, plus coordinates. The Atlas also analyzes the structure types reported in Pearson's Handbook. (2nd ed.) for their geometric correctness and identifies crystal chemical relations. The Atlas of Crystal Structure Types, Pearson’s Handbook of Crystallographic Data, and Handbook of Ternary Alloy Phase Diagrams are the three components of the ASM International reference set on crystallography. |
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Q.548.8 |
An Atlas of Models of Crystal Surfaces. John F. Nicholas. New York: Gordon & Breach, 1965 An atlas of ideal flat crystal structures featuring photographic plates of models made from hard spheres or balls. Tables of atomic positions provide coordinates to accompany the photos. Superceded (without photos) by the Atlas of Surface Structures and the NIST Surface Structure Database |
|
Q. 547.75 |
Atlas of Protein Sequence and Structure. Margaret Dayhoff. Silver Spring, Md.: National Biomedical Research Foundation. 1965-78. 6 volumes A major milestone in bioinformatics, this atlas compiled the known protein sequences of the time, but was quickly outpaced by the Protein Data Bank (PDB). |
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541.33 |
Atlas of Surface Structures: based on the NIST Surface Structure Database. Edited by P.R. Watson, et al. Washington, DC: American Chemical Society, 1994. 2 volumes. This set provides information on nearly 600 surface structures, identified from the early 1970’s through 1991, and contained in the NIST Surface Structure Database. Each entry in Volume 1A is prefaced by explanatory text and includes complete determinations of atomic positions with respect to the substrate lattice. The listings also include literature references, statements on experimental and theoretical methods used, bulk and surface unit cells, a complete list of atomic coordinates for overlayer, epilayer, interfacial, and bulk atoms and selected bond lengths and angles. Volume 1B contains high-quality computer-generated views of the surface structures. Supercedes: Atlas of Models of Crystal Surfaces, by J.F. Nichols. |
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548.7 |
The Barker Index of Crystals: A Method for the Identification of Crystalline Substances. M.W. Porter and R.C. Spiller., Cambridge: W. Heffer & Sons, 1951-1965. (3 volumes in 7 parts) This multi-volume set provides a method of identifying crystals from their interfacial angles. All crystallized substances are arranged in numerical order based on a calculation of their measured angles. This index was the first to include all 7,000-8,000 substances in Groth’s Chemische Krystallographie (Leipzig : W. Engelmann, 1906-1919) arranged according to chemical composition. |
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Q.669.94 |
Binary Alloy Phase Diagrams. 2nd ed. Edited by T.B. Massalski, et al. Materials Park, OH: ASM International, 1990. (3 volumes) A joint ASM/NIST compendium of data on binary alloy systems. This work compiles and evaluates the findings published in the Bulletin of Alloy Phase Diagrams. It also includes the data published in Hansen’s Constitution of Binary Alloys and its supplements (McGraw-Hill, 1958, 1965 and 1969) and Moffatt’s Handbook of Binary Phase Diagrams, up to 1990. Each entry consists of the phase diagram, a crystal structure table, and a list of selected key references on which the diagram is based. |
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016.548 |
Bond Index to the Determinations of Inorganic Crystal Structures. Institute for Materials Research, McMaster University. Hamiton, Ontario: McMaster University, 1969. UIUC Holdings: 1969-77, 1981. The data from this publication was used in part to establish the Inorganic Crystal Structure Database (ICSD). Bibliographic and chemical information on inorganic crystal structures are provided. |
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530.410212 |
Character Tables and Compatibility Relations of the Eighty Layer Groups and Seventeen Plane Groups. Daniel B. Litvin and Thomas R. Wike. New York: Plenum, 1991. This book identifies the 80 “layer” atom arrangements whose
symmetries are not identified in the |
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541.9 |
CRC Handbook of Chemistry and Physics. David R. Lide, editor. (81st ed.) Boca Raton: CRC Press, 2000. This essential handbook provides basic crystallographic structure
information on the elements, some |
|
548 |
Crystal Data: Classification of Substances by Space Groups and their Identification from Cell Dimensions. 2nd ed. Edited by W. Nowacki, et al. New York: American Crystallographic Society, 1967. Continuation of this work in: Journal of Physical & Chemical Reference Data, 6 (1977), pp. 675-829. The data in these volumes complement and supplement the Crystal Data Determinative Tables. |
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548 |
Crystal Data Determinative Tables. Edited by J.D.H. Donnay and Helen Ondik. Washington, DC: U.S. Department of Commerce, National Bureau of Standards, 1972-83. 6 volumes. This set covers organic, inorganic, and organometallic compounds and metal complexes containing organic ligands through 1981. Data includes cell parameters, space groups, structure, density, chemical name and formula. This set was originally published as Crystal Data (Memoir 60 of the Geological Society of America, 1954). The second edition appeared in two parts: Determinative Tables by J.D.H. Donnay, et al. (1963) and Systematic Tables, by Werner Nowacki, et al. (1967), as Monographs 5 and 6 of the American Crystallographic Association, respectively. The data from Crystal Data Determinative Tables have been incorporated into the ICSD, CSD, and CRYSTMET databases. |
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548 |
Crystal Structures. Ralph W.G. Wycoffe. 3rd ed. New York: Wiley Interscience, 1963-71. 6 volumes. Vol. 1 Structures of the elements and inorganic
compounds (1964) This multi-volume set focuses on the description of atomic positions and referencing the literature from which the determinations were obtained. For each crystalline compound identified, a detailed description of the structure is given, including diagrams, models, formulas, and x-ray measurements. Though somewhat dated in its scope and coverage, Wyckoff (especially Volume 1) is heavily cited throughout the literature and remains an important work in the field. |
|
NOS |
Elemental and Interplanar Spacing Index for Phase Identification by Electron or X-ray Diffraction. Edited by V.L. Himes, et al. Swarthmore, PA: International Center for Diffraction Data and NIST, 1989. EISI is designed to be used independently or in conjunction with a computer database for phase characterization using electron or X-ray diffraction. Allows the user to readily identify a material with the chemical and diffraction data routinely collected from electron microscopes. |
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546.43 |
Gmelin Handbook of Inorganic Chemistry. Gmelin Institut. Berlin: Springer-Verlag. 1817-1997. Also available electronically from STN International. Several volumes of this comprehensive reference work on inorganic
chemistry contain information on crystallographic properties of inorganic and
organometallic substances. The information is often more in-depth and
descriptive than that found in the handbooks and data tables. |
|
669.94 |
Handbook of Binary Phase Diagrams. Edited by W.G. Moffat. Schenectady, NY: General Electric Corporation, 1976. 5 volumes. |
|
NOS |
A Handbook of Lattice Spacings and Structures of Metals and Alloys. Edited by W.B. Pearson. National Research Council, Canada. Pergamon, 1958, 1967. The print source that formed the basis for the CRYSTMET database. Continued by Pearson's Handbook of Crystallographic Data for Intermetallic Phases. |
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Handbook of Physical Constants (See: Mineral Physics and Crystallography: A Handbook of Physical Constants) |
|
Q.669.94 |
Handbook of Ternary Alloy Phase Diagrams. Edited by P. Villars, et al. Metals Park, OH: American Society of Metals, 1995. 10 volumes. This reference set surveys the world’s literature for the period 1900-1989 and contains over 18,000 phase diagrams of all ternary alloy systems, except those containing oxygen, halogens, or noble gases. Crystallographic data are included for the chemical elements, and binary and ternary phases. Many of the binary system entries refer to Binary Alloy Phase Diagrams (ASM, 1990) for more complete information. This Handbook, along with The Atlas of Crystal Structure Types, and Pearson’s Handbook of Crystallographic Data, are the three components of the ASM International reference set on crystallography. |
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Q.548.0212 |
International Tables for Crystallography. International Union of Crystallography. Dordrecht: Kluwer. Commonly referred to as the "Crystallographer's Bible,"each volume is described below. --Volume A: Space Group Symmetry. 4th rev. ed., 1995. Edited by Theo Hahn.
Brief Teaching Edition of Volume A: Space-Group
Symmetry. Edited by Theo Hahn, 4th revised and This condensed version of Volume A consists of the complete descriptions of the 17 plane groups, selected space-group examples of varying complexity and distributed over all crystal systems, and the basic text sections of Volume A which are necessary for the understanding and handling of space groups. |
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548.7 |
Kronecker Product Tables. Edited by A.P. Cracknell, et al. New York: IFI/Plenum, 1979. 4 volumes. --Volume 1: General Introduction and Tables of Irreducible Representations
of Space Groups. Volume 1 reprints, with a few modifications, the character tables and matrix representatives given for the classic space groups in the 1967 tables of S.C. Miller and W.F. Love Tables of irreducible representations of space groups and co-representations of magnetic space groups. Boulder, Colo., Pruett Press, 1967. Volumes 2 and 3 consist of the tables of wave vector selection rules and of the reductions of Kroenecker products for the space groups. Volume 4 tabulates symmetrized powers of irreducible representations of space groups. |
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541.9 |
Landolt-Bornstein: Numerical Data
and Functional Relationships in Science and Technology. Group III - Condensed
Matter: Crystallography, Structure and Morphology. New York:
Springer-Verlag, 1961-present. Landolt-Bornstein provides a systematic, up-to-date and comprehensive collection of reliable numerical data and functional relationships in text, tabular, and graphical form from all fields of physics and physical chemistry. Much of the inorganic crystal structure information appearing in LB has been incorporated into the ICSD database. The volumes listed below contain crystallographic data:
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548.83 |
Laue Atlas: Plotted Laue Back-Reflection Patterns of the Elements, the Compounds RX and RX2. E. Pruess, et al. New York: Wiley, 1974. This work provides an overview of the fundamentals of Laue diffraction, a description of crystalline structures, and a catalog of Laue diagrams. This method for the orientation of single crystals is based on the direct comparison of Laue patterns and Laue diagrams plotted by computer. Only diagrams of Laue back-reflection patterns are reproduced in this book. |
|
Q. 669.1 |
Metals Handbook. Materials Park, OH: ASM International. 10th Ed. 1991- This encyclopedic handbook contains crystal structure information on specific metals and alloys. It is also a valuable source for information on the science of crystallography, diffraction methods, microscopy, and other materials science applications relating to metals and metallography. |
|
Q.549.1 |
Mineral Powder Diffraction File Databook: Sets 1-42. International Centre for Diffraction Data; American Ceramic Society. Swarthmore, PA: ICDD, 1993. The Mineral PDF Databook is a print subset of the Powder Diffraction File focusing on minerals. Contains crystallographic information on 3800 patterns representing 3200 mineral species.Contains information on 3800 patterns representing 3200 mineral species. |
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Q.549.1 |
Mineral Powder Diffraction File Search Manual: Sets 1-42. International Centre for Diffraction Data; American Ceramic Society. Swarthmore, PA: ICDD, 1993. This work is a companion volume to the Databook (above) that serves as a search manual and provides several indexes to systematically search the patterns and mineral species. |
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549.1 |
Mineral Physics and Crystallography: A Handbook of Physical Constants. Edited by T.J. Aherns. Washington, DC: American Geophysical Union, 1995. A reference book of selected critical data on characterizations and crystallographic properties for approximately 300 minerals. This is the 3rd edition of the Handbook of Physical Constants, published by the Geological Society of America in 1942 (F. Birch, et al., editors, GSA Special Paper No. 36) and 1966 (S.P. Clark, editor, GSA Memoir No. 92). |
|
669.94 |
Moffatt’s Handbook of Binary Phase Diagrams. J.H. Westbrook, editor. Schenectady, NY: Genium Publishing Corp., 1997 (Five volume looseleaf, 2 updates per year.) A set of loose-leaf binders, originally published by General Electric from 1976 to around 1995. The original edition provided information on binary systems compiled from Hansen’s Constitution of Binary Alloys, (McGraw-Hill, 1958, 2nd ed. 1965 and 3rd ed.1969). The current Handbook contains over 1,800 diagrams not found in these earlier works, including information on thermodynamics, crystallography, diffusion data and polymorphism. |
|
Q.541.22 |
Molecular Structure and
Dimensions: A Guide to the Literature 1935-83, Organic and Organometallic
Crystal Structures. Edited by Olga Kennard, Frank H. Allen and David
G. Watson. Utrecht: Scheltma &
Holkema, 1970-84. (15 volumes) A classified bibliography of organic, organometallic and metal complex
crystal structures prepared by the Cambridge Crystallographic Data
Center. The 15-volume set covers the published literature from
1935-1983. Later volumes contain a fully classified Chemical Diagram
index for easier access to the structural diagrams. Volume 13,
Molecular Structure and Dimensions: a guide to the literature 1935-1976,
organic organometallic crystal structures, (1983) contains a cumulative index
to volumes 1-8. The information in Molecular Structures and Dimensions
provided the basis for, and is continued by the |
|
Q.669.94 |
Pearson's Handbook of Crystallographic Data for Intermetallic Phases. P. Villars and L.D. Calvert. Materials Park, OH: ASM International, 1991. 2nd ed. 4 volumes.ISBN: 0-87170-416 This handbook compiles data (over 50,000 entries) from the international literature from 1913 through 1989. It includes phases (unary, binary, ternary, etc) for which data were found. All data are critically evaluated, simply organized, and indexed in a variety of formats. Additional information, whenever available, is included such as:
Pearson's Handbook is a companion to the Atlas of Crystal Structure Types for Intermetallic Phases, and Handbook of Ternary Alloy Phase Diagrams, all published by ASM International. Pearson's supercedes A Handbook of Lattice Spacings and Structures of Metals and Alloys and it's data is available in the CRYSTMET database |
|
539.722 |
Powder Diffraction File. Joint Committee on Powder Diffraction Data; American Society for Testing and Materials. Swarthmore, PA: JCPDS, 1974-84. 8 volumes. Inorganic Volumes. (Includes Alphabetic Index and Inorganic
Compounds Search Manual.) This print version of the PDF (see databases) is
published in sets (Organic, Inorganic and Minerals) It has been
produced in a variety of formats over the years: 3”x5” cards,
book, microfilm and CD-ROM. The PDF lists powder diffraction patterns
for most crystalline phases, including the unit cell, indices and optical
data, if known. Alphabetic indexes and search manuals for
specific sets are also available. |
|
548 |
Structure Reports. International Union of Crystallography. Utrecht: Kluwer (earlier volumes published by Scheltema & Holkema and Reidel) 1913-. (Vol. 1-7 published as: Strukturbericht, Leipzig, Akademie Verlagsgesellschaft, 1913-43 ). Structure Reports provide critically-reviewed data on crystal structures, including metals and inorganic compounds (Section A), and organic and organometallic compounds (Section B), but excludes proteins. The reports provide name, formula, papers reported, unit cell and space group data, details of analysis, atomic positions, and detailed description of crystal structures. Each volume is indexed and cumulative 10-year indexes are published separately. The inorganic section of Structure Reports (along with data from Landolt-Bornstein) were used to establish the Inorganic Crystal Structures Database (ICSD) and the organic data have been incorporated into the Cambridge Structural Database (CSD). |
|
548 |
Surface Crystallographic Information Service: A Handbook of Surface Structures. J.M. MacLaren, et al. Dordrecht: D. Reidel, 1987. A compilation of data on several hundred surface structures providing coordinates of atoms, details of surface preparations, techniques used in determination, and other information in a uniform format. |
|
510.212 |
Tables for Conversion of X-ray Diffraction Angles to Interplanar Spacing. U.S. National Bureau of Standards. Washington, DC: GPO, 1950. |
|
NOS |
Tables for Interatomic Distances and Configurations in Molecules and Ions. Edited by L.E. Sutton. London: The Chemical Society, 1955, 1958. (Special Publication No. 11, 1955 (literature through 1955); No. 18, 1965 (literature from 1956-59)). This work provides interatomic distances, bond angles, symmetry, structural diagrams, and bibliographic information. These tables were updated in the mid-1980's with mean bond lengths for organic compounds (Allen, F.H. et al. (1987) J. Chem. Soc. Perkin Trans. 2, pp. S1-S19) and organometallic and metal-coordination compounds (Orpen, A.G. et al. (1989) J. Chem. Soc. Dalton Trans. pp. S1-S83). |
|
Q.669.94 |
Ternary Alloys: A Comprehensive Compendium of Evaluated Constitutional Data and Phase Diagrams. Edited by G. Petzow and G. Effenberg. New York: VCH, 1988. 3 volumes. Ternary Alloys provides critically evaluated information on all the known phase diagrams of three-component systems. Entries including liquidus projections, isothermal and vertical sections, reaction schemes, invariant equilibria and crystallographic data accompanied by short, descriptive texts. Each system report includes a complete bibliography. |
List of Publications or Contents
|
Call Number |
Title |
|
548.06 |
Transactions. American Crystallographic Association. Volumes 1-19, 1965-93. Most recent meeting at http://www.hwi.buffalo.edu/ACA/ |
|
548 Ap58 |
Applied crystallography: proceedings XVII (1997), XVI (1994), XV (1992) |
|
548 |
Aperiodic Conferences - International Commission on Aperiodic Crystals. Past and forthcoming conferences at http://www.iucr.ac.uk/iucr-top/comm/capd/ |
|
548.5 |
Reports of the Conference on Growth of Crystals. English translation from the Russian. Volumes 1-11, 1958-79. |
|
548.028 |
Crystallographic Computing: Techniques and new technology; Paper presented at the International School on Crystallographic Computing. (Title varies.) International Crystallographic Union. Chester, UK: Oxford Univ. Press, 1988. UIUC Holdings: 1970, 1987 (CHX); 1980, 1985 (STX -- call number 548.0285IN8C); 1983 (GEX -- call number 548.02854IN8M) |
List of Publications or Contents
Print version: 1969-82 (STX) --
Section 6: 1961-68 (STX)
Call number: 016.548B874 -- Section 6: 539.105FR
Print version: 1907-present (CHX)
Online: SciFinder
Scholar (1947- present)
Section 75--Crystallization and Crystal Structure:
--0. Reviews
--1. Crystallization
-----Methods and theory
-----Nucleation
-----Growth (including twinning)
-----Effect of impurities
--2. Order-disorder and dislocations
--3. Phase transformation of crystals
--4. Physical properties of crystals
--5. Crystal structure determination
-----Methods and theory - elements, metals
-----Inorganic compounds
-----Organic compounds
-----Mesomorphic (liquid crystalline) phases
-----Liquids
-----Gases
(Available electronically as
METADEX)
Section Heading 12: Crystal structure
America Vol. 1- 1920-
Print version: 1907-present (PHX, ENX)
Online INSPEC:1969-present
Section 6100--Structure of liquids and solids; crystallography:
--6100: Structure of liquids and
solids; crystallography
--6110: X-ray determination of structures
--6112: Neutron determination of structures
--6114: Electron determination of structures
--6116: Other determination of structures
--6120: Classical, semiclassical, and quantum theories of liquid structure
--6125: Studies of specific liquid structures
--6130: Liquid crystals
--6140: Amorphous
Print version: 1950-90 (STX);
1990-93 (GEX)
Call number: 550.5ZEN
List of Publications or Contents
|
Call Number |
Title |
Location |
Volume |
Years |
|
548.05 |
Acta Crystallographica |
CHX |
17-23 |
1964-67 |
|
548.05 |
CHX |
24- |
1968- |
|
|
548.05 |
CHX |
24- |
1968- |
|
|
548.05 |
Acta Crystallographica C (aka Crystal Structure Communications) |
CHX |
39- |
1983- |
|
548.05 |
Acta Crystallographica D (aka Biological Crystallography) |
CHX |
49- |
1993- |
|
548.9AD95 |
Advances in Liquid Crystals+ |
ENX |
2-6 |
1976-83 |
|
549.05AM |
American Mineralogist |
GEX |
1- |
1916- |
|
506CR1SerC |
Comptes Rendus de l'Academie des Sciences. Series IIb: Mechanics, Physics, Chemistry, Astronomy |
CHX |
68- |
1869- |
|
548.8105CR |
Crystal Lattice Defects |
PHX |
1-9 |
1969-82 |
|
548.8105CR1 |
Crystal Lattice Defects and Amorphous Materials (discontinued) |
PHX |
9-18 |
1982-89 |
|
620.112C884 |
Crystal Properties and Preparations (discontinued) |
ENX |
9-38 |
1986-91 |
|
548.05KRS1 |
ENX |
1-28 |
1966-93 |
|
|
548.05CR |
Crystal Structure Communications (see Acta Crystallographica C) |
CHX |
39- |
1983- |
|
548.C8893 |
Crystals. Growth, Properties, and Applications |
ENX |
1-13 |
1978-91 |
|
Q.548.05KR21 |
Crystallography Reports |
PHX |
38- |
1992- |
|
548.05.CRY |
Crystallography Reviews |
PHX |
1-3 |
1987-92 |
|
Free Online |
CrystEngComm Royal Society of Chemistry http://www.rsc.org/is/journals/current/crystengcomm/cecpub.htm |
|
|
|
|
539.105STI |
Fizika Tverdogo Tela (see Physics of the Solid State) |
STX |
6-35 |
1964-93 |
|
546.05IN |
CHX |
1- |
1962- |
|
|
546.05AK |
Izvestiya
Akademii Nauk SSR. Neorganicheskie Materialy |
CHX |
1-26 |
1965-90 |
|
669.05JOL1 |
ENX |
176- |
1991- |
|
|
548.805JO |
GEX |
1- |
1968- |
|
|
530.5JOUC |
CHX |
1- |
1933- |
|
|
541.2205JO1A |
Journal of Chemical Crystallography |
CHX |
24- |
1994- |
|
548.505JO |
PHX |
1-86 |
1967-86 |
|
|
541.2205JO |
Journal of Crystal and Molecular Structure |
CHX |
1-11 |
1971-81 |
|
541.2205JO1 |
Journal of Crystallographic and Spectroscopic Research |
CHX |
12-23 |
1982-93 |
|
620.105JO |
Journal of Materials Science |
ENX |
1- |
1966- |
|
669.9405JR |
Journal of Phase Equilibria |
ENX |
12- |
1991- |
|
539.105PH |
Journal of Physics and Chemistry of Solids |
CHX |
24- |
1963- |
|
541.05JOS |
Journal of Solid State Chemistry |
CHX |
1- |
1969- |
|
540.6AM |
CHX |
1- |
1972- |
|
|
540.5CHSOJD |
Journal of the Chemical Society-Dalton Transactions* |
CHX |
1- |
1972- |
|
NOS |
Journal of the Crystallographic Society of Japan |
|
|
|
|
669.05JOL |
Journal of the Less-Common Metals (discontinued - see Journal of Alloys & Compounds) |
CHX |
1-144 |
1959-88 |
|
548.05KRS1 |
Kristal und Teknik (see Crystal Research and Technology) |
|
|
|
|
548.05KRZ |
Krystallografiya (see Soviet Physics - Crystallography) |
|
|
|
|
548.505MA |
STX |
1- |
1966-86 |
|
|
548.05MOA |
Molecular Crystals |
ENX |
1-5 |
1966-68 |
|
548.05MOA |
Molecular Crystals and Liquid Crystals |
ENX |
6-237 |
1969-92 |
|
548.05MOA |
Molecular Crystals and Liquid Crystals - Letters |
ENX |
1-8 |
1985-92 |
|
NOS |
Molecular Crystals and Liquid Crystals - Supplement Series |
|
|
|
|
530.5PR4 |
PHX |
1- |
1970- |
|
|
539.105PHYS |
PHX |
1- |
1970- |
|
|
539.105PHY |
PHX |
1- |
1961- |
|
|
669.05FI2 |
Physics of Metals and Metallography |
ENX |
1- |
1956- |
|
Physics of the Solid State (translation of Fizika Tverdogo Tela) |
PHX |
1- |
1959- |
|
|
548.505PR1 |
Progress in Crystal Growth and Charaterization and Materials |
STX |
1-3 |
1977-80 |
|
539.105SOLI |
PHX |
1- |
1963- |
|
|
531.705SO |
Solid State Ionics |
PHX |
1-49 |
1980-91 |
|
539.1504UP |
Solid State Physics: Advances in (Reference) Research and Application |
PHX |
1- |
1955- |
|
548.05KRZ |
Soviet Physics - Crystallography (continued by Crystallography Reports) |
PHX |
1-37 |
1956-92 |
|
549.05ZE1 |
Zeitschrift fur Kristallographie |
GEX |
1-5 |
1913-37 |
All journals covered in Chemical Abstracts and INSPEC (Physics
Abstracts) except where noted.
* Not covered by INSPEC
+ Not covered by Chemical Abstracts
List of Publications or Contents
There are seven major crystallographic databases continuously maintained and updated:
These databases are powerful and cost-effective tools for
solving materials identification problems. In addition to the major
crystallographic databases, several recent databases and new applications are
listed. Many of these are web-based and offer enhanced search and display
capabilities using new data (as in the biological areas) or with the old data,
CRYSTDAT, for example. Additional information on the databases listed here,
as well as an overview of the current state of crystallographic databases in
general, can be found in the following references: Karen (1996), IUCr
Crystallographic Databases (1987), and in Allen (1998).
Source: NIST
Size: 2000 crystal forms of more than 1500 biological macromolecules
Availability: http://wwwbmcd.nist.gov:8080/bmcd/bmcd.html
The Biological Macromolecule Crystallization
Database (BMCD) contains crystal data and the crystallization conditions
compiled from the published literature. The current version of the BMCD
includes crystallographic data from biological macromolecules for which
diffraction quality crystals have been obtained. These include proteins,
protein-protein complexes, nucleic acid, nucleic acid-nucleic acid complexes,
protein-nulceic acid complexes, and viruses. In addition to including
crystallization data reported in the literature, the BMCD contains the NASA Protein
Crystal Growth Archive, which includes the crystallization data generated
from studies carried out in a microgravity environment supported by NASA. Data
from other crystallization experiments carried out under microgravity sponsored
by other international space agencies are also included.
Source: Cambridge Crystallographic Data Center (CCDC)
Content: ~190,000 entries corresponding to ~137,000 compounds
Format: CD-ROM, Magnetic Tape
Availability: CCDC, Cambridge, UK. see: http://www.ccdc.cam.ac.uk/prods/csd/csd.html
(Available in the UIUC School of Chemical Sciences)
The Cambridge Structural Database (CSD) contains information on over 190,000 experimentally determined crystal structures of organic and organometallic compounds, including drugs, natural products and chemicals, compiled since 1935. All of these crystal structures have been analyzed using x-ray or neutron diffraction techniques. Each crystallographic entry in the CSD provides bibliographic information, chemical connectivity, and numeric data. The CCDC has developed graphical search, retrieval and data visualization software for accessing the CSD.
Print predecessors:
Crystal Data Determinative Tables.
Molecular Structure and Dimensions
Structure Reports.
Source: U.S. National Institute for Standards and Technology (NIST) and
International Center for Diffraction Data
Content: ~200,000 entries representing ~60,000 unique phases
Format: Magnetic Tape and CD-ROM http://www.nist.gov/srd/nist3.htm
Availability: NIST (Standard Reference Data Program) or ICDD
The Crystal Data File contains chemical, physical,
and crystallographic information useful to characterize more than 200,000
inorganic, organic, organometallic, metal, intermetallic and mineral
compounds. The data includes the standard cell parameters, cell volume,
space group number and symbol, calculated density, chemical formula, chemical
name, and classification by chemical type. The Crystal Data File accepts
bibliographic, unit cell, and chemical information from the ICSD,
CSD, and CRYSTMET databases.
Structural data must still be obtained from the originating database.
Source: Toth Information Systems, Inc., Ottawa. (Formerly
available from: National Research Council, Canada,
Canadian Scientific Numeric Database Service)
Size: ~200,000 records
Format: CDROM
Availability: (unknown)
This database is an enhanced version of the NIST
Crystal Data File. Toth has developed a superior search interface and
added structural data (where available) to the existing CDF records.
Dynamic links to other crystallographic files are also provided. CRYSTDAT comes
with a variety of crystallographic tools to manipulate the data.
Source: U.S. Naval Research Laboratory
Content: 71 structures in 35 of the 230 space groups.
Format: Internet accessible
Availability: Free (http://cst-www.nrl.navy.mil/lattice/)
This web-based data file offers a concise index of common crystal lattice structures. A graphical representation as well as useful information about the lattices can be obtained by clicking on the available structure diagrams.
Source: Toth Information Systems, Inc., Ottawa. (Originally
produced by the National Research Council, Canada,
Canadian Scientific Numeric Database Service)
Size: ~60,000
Availability: CISTI CAN/SND (fee) http://www.tothcanada.com/
A database of critically evaluated crystallographic data for metals (including alloys, intermetallics, and minerals), accompanied by pertinent physical, chemical, and bibliographic information. Covers the literature from 1913-present. About half of the current entries include atomic coordinates. These original datasets are arranged into two tables, one of which contains a single record for each entry and the other contains the atomic coordinate data. In the latter case there can be multiple records per entry, one for each atomic position. Originally developed by the National Research Council of Canada, the CRYSTMET database is now supported, and under continued development, by Toth Information Systems, Inc. Toth initially intends to distribute two databases, one containing structures and the other powder diffraction patterns, in the form of a CD-ROM, with search software. Future plans include Web searchable versions.
Print predecessors:
Crystal Data Determinative Tables.
A Handbook of Lattice Spacings and Structures of Metals
and Alloys
Pearson's Handbook of Crystallographic Data for
Intermetallic Phases
Source: NIST, Sandia National Laboratory, and the ICDD
Size: 87,200 records of crystalline materials
Format: CD-ROM
Availability: NIST (Standard Reference Data Program)
or ICDD
Produced in cooperation with the National Institute
for Standards and Technology (NIST) and Sandia National Laboratory, this
database contains crystallographic and chemical information on over 87,200
crystalline materials, a large fraction of which are unique phases, for
application to electron diffracton. Each entry contains space group data, unit
cell data, chemical formula and name, and literature references. Designed
for phase characterization obtained by electron diffraction methods, this
database and associated software permit highly selective identification
procedures for microscopic and macroscopic crystalline materials. The
database contains crystallographic information on a wide variety of materials
including minerals, metals, intermetallics, and general inorganic compounds.
Source: Gmelin-Institute for Inorganic Studies, Fachsinformationzentrum,
(FIZ) Karlsruhe, Germany.
Size: ~40,000 descriptions of inorganic structures (excluding oxides and
halides)
Availability: CISTI CAN/SND (fee); STN (fee); Locally in the UIUC School of
Chemical Sciences.
ICSD is a comprehensive compilation of crystal structure data of inorganic compounds. All information has been obtained from the original sources and checked to assure high quality. The literature is covered back to 1915. The database is now updated by direct scanning of major journals. The database is produced by FIZ Karlsruhe and the Max Planck Institute, Germany. Currently the database contains over 47,000 entries and is updated semi annually with approximately 2,500 new entries each year.
See an ICSD sample record here: http://crystal.fiz-karlsruhe.de/portal/cryst/icsd_ex.html
ICSD User's Group homepage at http://www.icsd-usergroup.net/
Print predecessors:
Source: Rutgers University
Content: ~400 structures
Format: Internet accessible
Availability: http://ndbserver.rutgers.edu/NDB/
The Nucleic Acid Database Project (NDB) contains
3-dimensional structural information on RNA and DNA oligonucleotides that have
been obtained from x-ray crystallographic experiments. The NDB allows
retrieval of coordinates, provides information about the conditions used to
derive the coordinates, and the structural information that could be derived
from the coordinates.
Source: Joint Committee on Powder Diffraction Standards and the
International Centre for Diffraction Data (JCPDS/ICDD)
Size: PDF-1 ;PDF-2 ~76,000 single-phase datasets
Availability: Magnetic tape and CD ROM from ICDD; Locally
in the UIUC Materials Research Laboratory.
The Powder Diffraction File (PDF) is the most
comprehensive database for single phase X-ray powder diffraction patterns. It
is updated yearly with approximately 2,500 new compounds. The primary use
of the PDF is to identify “fingerprints” of unknown materials by
matching the spacings of the unknown material’s diffraction patterns with
the spacings of known substances. The PDF is available in two
versions:
PDF-1 Databases - (Available in computer-readable format only) is a collection of single-phase X-ray powder diffraction patterns in the form of tables of interplanar spacings, relative intensities, chemical name and formula, mineral name (if available), and PDF number. This form of the database is primarily used in conjunction with "Search/Match" software for the identification of unknown materials, as distributed by instrument manufacturers and software suppliers.
The PDF-2 Database is a collection of single-phase X-ray powder diffraction patterns in the form of tables of interplanar spacings, relative intensities and chemical name and formula as well as mineral name, if applicable. In addition, Miller indices, cell data and physical properties are listed, together with references for source information, where such data are available
Print Edition: Powder Diffraction File
Source: Brookhaven National Laboratory (U.S. Department of Energy)
Content: ~4,000 entries with over 8713 Coordinate Entries / 8085 proteins / 616
nucleic acids / 12 carbohydrates (as of Nov. 1998)
Format: CD-ROM; Internet FTP, WWW
Availability: Brookhaven National Laboratory (http://www.rcsb.org/pdb/)
The Protein Data Bank (PDB) is an electronic archive of experimentally determined 3-dimensional structures of proteins, nucleic acids, and other biological macromolecules. The database contains atomic coordinates, bibliographic citations, primary and secondary structure information, as well as crystallographic structure factors and nuclear magnetic resonance (NMR) experimental data. The PDB primarily contains data from diffraction and NMR studies of proteins, nucleic-acids, and viruses and is the single global archive of such data, and thus of enormous value to many scientific and industrial communities.
Print predecessor:
Atlas of Protein Sequence and Structure
Source: Alexey G. Murzin, Bartlett G. Ailey, Steven E. Brenner, Tim J.P. Hubbard,
and Cyrus Chothia. MRC Laboratory of Molecular Biology and Centre for
Protein Engineering Hills Road, Cambridge, CB2 2QH, England.
Size: 6497 PDB Entries (20 Oct 97). 13073 Domains. 101 Literature References
Format: Internet accessible
Availablity: http://scop.mrc-lmb.cam.ac.uk/scop/
Nearly all proteins have structural similarities with other proteins and, in some of these cases, share a common evolutionary origin. The scop database, created by manual inspection and abetted by a battery of automated methods, aims to provide a detailed and comprehensive description of the structural and evolutionary relationships between all proteins whose structure is known. As such, it provides a broad survey of all known protein folds, detailed information about the close relatives of any particular protein, and a framework for future research and classification.
Source: U.S. National Institute for Standards and Technology
(NIST)
Size: 1000 experimentally determined atomic scale structural analyses
Format: CDROM
Availability: NIST - Standard Reference Data Program (http://www.nist.gov/srd/nist42.htm)
The SSD is a complete critical compilation of
reliable crystallographic information on surfaces and interfaces. Provides text
and graphical displays. The NIST Surface Structure Database provides
3-dimensional graphics to allow researchers to visualize the structures of
crystal surfaces on the atomic scale. The (SSD) is the only complete critical
compilation of reliable crystallographic information now available on surfaces
and interfaces. SSD brings instant access to detailed text and graphical displays
of nearly 1000 experimentally-determined atomic-scale structural analyses.
Source: ESM Software
Content: 17,000 pure compound phases
Format: Proprietary software
Availability: ESM Software at http://www.esm-software.com/tapp/
TAPP lists properties of over 13,000 solids including: crystal structure, phase transformations, density, thermal expansion, elastic moduli, thermal conductivity, electrical resistivity, diffusivity, dielectric constant, magnetic properties, cryogenic properties, and optical properties. TAPP also lists properties of more than 15,000 fluid phases, including density, dielectric constant, surface energy, as well as properties of over 10,000 compound phases and solutions: TAPP enables the user to retrieve materials property data and recalculate properties as if it were a spreadsheet program. Entering maximum and minimum values for one or more properties can generate a list of compounds that meet these requirements.