International Centre for Diffraction Data

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The International Centre for Diffraction Data (ICDD) maintains a database of powder diffraction patterns, the Powder Diffraction File (PDF), including the d-spacings (related to angle of diffraction) and relative intensities of observable diffraction peaks. Patterns may be experimentally determined, or computed based on crystal structure and Bragg's law. It is most often used to identify substances based on x-ray diffraction data, and is designed for use with a diffractometer. Release 2021 of the Powder Diffraction File™ (PDF®) contains 1,047,661 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 organization was founded in 1941 as the Joint Committee on Powder Diffraction Standards (JCPDS). In 1978, the name of the organization was changed to the current name to highlight the global commitment of this scientific endeavor.

The ICDD is a nonprofit scientific organization, founded by, and dedicated to scientists working in the field of X-ray analysis and materials characterization. The ICDD produces materials databases, characterization tools, and educational materials, as well as organizing and supporting global workshops, clinics and conferences. It provides the scientific community with the tools required for X-ray analysis while continuing to educate and inform current and future scientists in the field.

The Vision - The International Centre for Diffraction Data will continue to develop tools and support the education required for materials analyses of tomorrow.

The Mission - The International Centre for Diffraction Data will continue to be the world center for quality diffraction and related data, and world-class software to meet the needs of the technical community. ICDD promotes the application of materials characterization methods in science and technology by providing forums for the exchange of ideas and information.

Products and services of the ICDD include the Powder Diffraction File databases (PDF-2, PDF-4+, WebPDF-4+ , PDF-4/Minerals, PDF-4/Organics), educational workshops, clinics and symposia as well as sponsorship of the Denver X-ray Conference and the Pharmaceutical Powder X-ray Diffraction Symposium (PPXRD). The ICDD also publishes the journals Advances in X-ray Analysis and Powder Diffraction.

As mentioned above, the Powder Diffraction File contains powder diffraction data and is designed to work with a diffractometer to identify unknown materials. With every entry, the database also contains bibliographic references, chemistry descriptions, structural classifications, crystallographic and physical properties.

In 2019, Materials Data®, also known as MDI, merged with ICDD. Materials Data creates XRD software applications to collect, analyze, and simulate XRD data. MDI is best known for JADE®, which may be found on all continents and in labs wherever X-ray powder diffraction data is applied. MDI software works universally with every manufacturer of XRD equipment to help provide unbiased results.

In 2020, ICDD and CCDC announced a data partnership to drive greater opportunities in pharma and materials development. The Cambridge Crystallographic Data Centre, CCDC, curates and maintains the CSD (Cambridge Structural Database) – the world’s repository for small-molecule organic and metal-organic crystal structures. Both non-profit organizations have a strong focus on data quality, with entries edited and verified manually to ensure accuracy and standardized format. The partnership will see the ICDD calculate and publish diffraction patterns, including atomic co-ordinates, from structures found in the CSD. By combining powder and single crystal data in this manner, the ability to match samples to known structures will be enhanced – enabling, for example, rapid analysis in the pharmaceutical industry from API discovery through drug delivery formulation.

See also[]

• Powder diffraction
• Crystallography

External links[]

• International Centre for Diffraction Data official website
• History, contents & use of the PDF
• Advances in X-ray Analysis—Technical articles on x-ray methods and analyses
• Powder Diffraction Journal—quarterly journal published by the JCPDS-International Centre for Diffraction Data through the Cambridge University Press
• Denver X-ray Conference—World's largest X-ray conference on the latest advancements in XRD and XRF
• PPXRD-16 —Pharmaceutical Powder X-ray Diffraction Symposium

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