Detailed crystallographic information provided by X-ray Diffraction (XRD) is complementary to molecular information provided by Raman spectroscopy. Accordingly, the combined use of these techniques allows the identification of an unknown compound without ambiguity. However, a full combination of Raman and XRD results requires a proper and reliable reference database with complete information. This is already available for XRD. The main objective of this paper is to introduce and describe the recently developed Raman Open Database (ROD, http://solsa.crystallography.net/rod). It represents a collection of high quality uncorrected Raman spectra. The novelty of this database is its interconnectedness with other open databases like the Crystallography Open Database (COD, https://www.crystallography.net/cod). Indeed, the syntax we have used to format entries in the ROD is based on the worldwide recognized and used Crystallographic Information Format (CIF), which offers a simple way for data exchange, writing and description. The fully open character of this novel database makes the ROD freely and completely usable by anybody worldwide, academics, industrials and the general public.

Raman Open Database: first interconnected Raman-XRD open-access resource for material identification.

Marco Zanatta;Gino Mariotto;Arun Kumar;CASSETTA, MICHELE;
2019

Abstract

Detailed crystallographic information provided by X-ray Diffraction (XRD) is complementary to molecular information provided by Raman spectroscopy. Accordingly, the combined use of these techniques allows the identification of an unknown compound without ambiguity. However, a full combination of Raman and XRD results requires a proper and reliable reference database with complete information. This is already available for XRD. The main objective of this paper is to introduce and describe the recently developed Raman Open Database (ROD, http://solsa.crystallography.net/rod). It represents a collection of high quality uncorrected Raman spectra. The novelty of this database is its interconnectedness with other open databases like the Crystallography Open Database (COD, https://www.crystallography.net/cod). Indeed, the syntax we have used to format entries in the ROD is based on the worldwide recognized and used Crystallographic Information Format (CIF), which offers a simple way for data exchange, writing and description. The fully open character of this novel database makes the ROD freely and completely usable by anybody worldwide, academics, industrials and the general public.
Raman spectroscopy
Open database
Combined Raman-XRD
DDLm dictionary
CIF2
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11562/1001747
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