Product Overview

NOTICE - This document includes dated information and numbers - NOTICE

The ICDD continues to fulfill its mission by obtaining data from global sources and providing extensive editorial review to standardize the data, add structural and material data with classifications, and provide quality assessment.

The primary purpose of all ICDD database products is to enable material identification. Although PDF-2 and PDF-4+ are primarily inorganic and PDF-4/Organics is primarily organic and organometallic materials, cross entries of common phases are deliberately added to help in material identification.
The ICDD continues to receive entries from its historical sources of powder diffraction data, ICDD's Grant-in-Aid program, contributions, and bibliographic searches. The large increase in entries since 1997 was made possible by a series of strategic collaborative efforts between ICDD and international crystallographic database organizations. Current and historic collaborative partners include:

  • Cambridge Crystallographic Data Centre (CCDC) Cambridge, UK
  • FIZ Karlsruhe — Leibniz Institute for Information Infrastructure (FIZ) Karlsruhe, Germany
  • National Institute of Standards and Technology (NIST) Gaithersburg, Maryland
  • Material Phases Data System (MPDS) Vitznau, Switzerland

These collaborations also result in the diversity of ICDD's database products. PDF-4+ and PDF-4/Minerals are the only databases that contain data from the collaboration with MPDS. PDF-4/Organics is the only database that contains data from CCDC.

The PDF Databases
The Powder Diffraction File contains 871,758 unique material data sets. Each data set contains diffraction, crystallographic and bibliographic data, as well as experimental, instrument and sampling conditions, and select physical properties in a common standardized format. The PDF contains information from the collective works of >2,000 journals and hundreds of thousands of authors. ICDD collects data on new emerging and commercial materials through an annual Grant Program. Each year, ~50 leading material laboratories are awarded grants to analyze and characterize new materials for the PDF. The PDF's large size and comprehensive material coverage is achieved through ICDD's own bibliographic processes, as well as collaborations with global structural database organizations.

The database is designed and produced in several different formats in order to serve different groups of users.

PDF-2 is a collaborative product between ICDD, FIZ and NIST and is designed for inorganic materials analyses. Many common organic materials from the ICDD are added to this database to facilitate rapid material identification. (purchase)

PDF-4+ is an advanced database containing the data from both the PDF-2 and ICDD's collaboration with MPDS. This database is designed for quantitative analysis, (Rietveld, RIR, and Pattern Fitting) as well as material identification. This database has comprehensive material coverage for inorganic materials and contains numerous features such as digitized patterns, molecular graphics and atomic parameters. Many new features have been incorporated into PDF-4+ to enhance the ability to do quantitative analysis by any of three methods: Rietveld Analysis, Reference Intensity Ratio (RIR) Method or Total Pattern Analysis. (purchase)

PDF-4/Minerals is a subset of PDF-4+, which includes the new features incorporated into PDF-4+. This database is the world's largest and most comprehensive database of minerals and mineral related materials. Related materials include synthetic minerals, gems, and specimens that were treated under non-ambient conditions. (purchase)

PDF-4/Organics  is designed to identify organic and organometallic materials. In addition to 515,458 organic entries, it also contains a few thousand inorganic materials, primarily pharmaceutical excipients to help with formulation analyses and identification. (purchase)

All ICDD databases are designed for fast material identification. The database design includes specialized indexes for rapid searching along with searches based on chemical and structural knowledge. There are also many database features added for software developers to smoothly transfer data between the PDF and the world's most powerful diffraction analysis software.

OTHER ICDD PRODUCTS HIGHLIGHTS
DATA BOOK AND INDEXES/SEARCH MANUALS HIGHLIGHTS
The Powder Diffraction File is also available in book form. Every book (set) contains the annual production of ICDD experimental patterns. The book and indexes are targeted for libraries and small laboratories that do not have access to automated systems.

ICDD’s printed indexes and manuals allow for searches and identification of phases contained in the data book format of the PDF. The Alphabetical Indexes and Hanawalt Search Manual can be used to search experimental inorganic phases. The Organic and Organometallic Phases manual covers experimental phases sorted by the four common indexes. These three basic search manuals sort experimental data to facilitate search and identification of phases. The Alphabetical Indexes sort inorganic phases based on chemical name and chemical name fragments. The Hanawalt Search Manual sorts inorganic phases using the three strongest lines. The Organic and Organometallic Phases search manual uses all of the above methods. The electronic version of all three search manuals is our upgraded software program, SIeve.

DXC HIGHLIGHTS
The Denver X-ray Conference began in 1951 at the University of Denver as a one-day symposium on the use of X-rays and their impact on modern research. In 1998, ICDD assumed full responsibility and sponsorship of the conference. The annual conference brings together over 500 speakers, attendees and exhibitors. Approximately 200 technical presentations are given each year.

The DXC provides a unique mixture of sessions and workshops focused on training, education, and applications. An exhibition of X-ray equipment and services accompanies the technical program, where vendors display and demonstrate their newest products.

Officially titled the Annual Conference on Applications of X-ray Analysis, the Denver X-ray Conference (DXC), as it is more commonly known, flourishes as the world’s leading forum for scientists working in the field of X-ray materials analysis. The conference brings together scientists, engineers, and technologists from around the world to discuss state-of-the-art techniques and indications for future developments in X-ray analysis. In fact, the DXC not only provides the venue for such discussions, but has stimulated and nurtured many of the major developments in these fields over the years.

ADVANCES IN X-RAY ANALYSIS HIGHLIGHTS
ICDD publishes the proceedings of the Denver X-ray Conference (DXC) on CD-ROM, through the series, Advances in X-ray Analysis (AXA). Volumes 1–39 are contained on a single CD, with each subsequent year on a separate CD. Each CD-ROM contains a collection of that year’s manuscripts plus a cumulative table of contents.

The AXA compilation includes 60 volumes. Volumes 1–39, representing the proceedings from 1957 to 1995, are available on a single CD. The entire compilation contains 3,211 articles from world experts relative to the development of XRD and XRF and X-ray analysis applications. With the ability to search the entire compilation by subject matter, title or author, the collection is invaluable to practitioners in the field.

The ICDD is pleased to present access to select volumes of The Advances in X-ray Analysis- Proceedings of the Denver X-ray Conference in Adobe Acrobat PDF form. Browse by title or search by keyword, including author name. Results indicate the title, author, and file size.

Powder Diffraction (PDJ) JOURNAL HIGHLIGHTS
Powder Diffraction (PDJ), ICDD’s international journal, is published quarterly plus an annual special topical issue, by Cambridge University Press. PDJ is a journal of material's characterization using X-ray, electron and neutron scattering analysis methods. The journal welcomes manuscripts describing practical techniques, relating to a wide range of applications - from materials analysis to epitaxial growth of thin films and to the latest advances in software. Although practice is emphasized, theory is not neglected, especially as its discussion relates to better understanding of technique.

In collaboration with the Denver X-ray Conference Organizing Committee, ICDD provides a copy of the previous year’s edition of Advances in X-ray Analysis (AXA) to Institutional Print/Online subscribers of PDJ. This effectively doubles the number of articles annually available to PDJ subscribers and significantly increases the circulation for the authors in Advances in X-ray Analysis. Powder Diffraction also publishes supplemental issues for proceedings of international meetings, including the European Powder Diffraction Conference (EPDIC), the Chinese National Conference on XRD, and the Australian X-ray Analytical Association (AXAA) meeting.