Importance of powder diffraction raw data archival in a curated database for materials science applications.

Powder Diffraction File phase identification powder diffraction raw data

Journal

Acta crystallographica Section B, Structural science, crystal engineering and materials
ISSN: 2052-5206
Titre abrégé: Acta Crystallogr B Struct Sci Cryst Eng Mater
Pays: England
ID NLM: 101609037

Informations de publication

Date de publication:
01 Oct 2024
Historique:
medline: 2 9 2024
pubmed: 2 9 2024
entrez: 2 9 2024
Statut: aheadofprint

Résumé

In recent years, there is a significant interest from the crystallographic and materials science communities to have access to raw diffraction data. The effort in archiving raw data for access by the user community is spearheaded by the International Union of Crystallography (IUCr) Committee on Data. In materials science, where powder diffraction is extensively used, the challenge in archiving raw data is different to that from single crystal data, owing to the very nature of the contributions involved. Powder diffraction (X-ray or neutron) data consist of contributions from the material under study as well as instrument specific parameters. Having raw powder diffraction data can be essential in cases of analysing materials with poor crystallinity, disorder, micro structure (size/strain) etc. Here, the initiative and progress made by the International Centre for Diffraction Data (ICDD

Identifiants

pubmed: 39221974
pii: S2052520624006607
doi: 10.1107/S2052520624006607
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Informations de copyright

open access.

Auteurs

Soorya Kabekkodu (S)

International Centre for Diffraction Data, 12 Campus Blvd., Newtown Square, Pennsylvania 19073, USA.

Thomas Blanton (T)

International Centre for Diffraction Data, 12 Campus Blvd., Newtown Square, Pennsylvania 19073, USA.

Classifications MeSH