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Journal articles
Raman Open Database first interconnected Raman–X-ray diffraction open-access resource for material identification
Y. El Mendili
1
A. Vaitkus
2
A. Merkys
2
S. Gražulis
2
D. Chateigner
1
F. Mathevet
3
S. Gascoin
3, 1
S. Petit
3, 1
J.-F. Bardeau
4
M. Zanatta
5
M. Secchi
6
G. Mariotto
5
A. Kumar
5
M. Cassetta
5
L. Lutterotti
E. Borovin
6
B. Orberger
7
P. Simon
B. Hehlen
8
M. Le Guen
9
9
Eramet
D. Chateigner 1
Author
F. Mathevet 3
Author
S. Gascoin 3, 1
Author IdHAL : stephanie-gascoin ORCID : https://orcid.org/0000-0003-1322-3089
S. Petit 3, 1
Author
B. Orberger 7
Author
P. Simon
Author IdHAL : patrick-simon ResearcherId : http://www.researcherid.com/rid/C-1688-2008 ORCID : https://orcid.org/0000-0001-9106-9975
B. Hehlen 8
Author
M. Le Guen 9
Author
1
CRISMAT - Laboratoire de cristallographie et sciences des matériaux (6 Bvd du maréchal Juin 14050 CAEN CEDEX 4 - France)
- CNRS - Centre National de la Recherche Scientifique : UMR 6508 (France)
- ENSICAEN - École Nationale Supérieure d'Ingénieurs de Caen (6, Boulevard du Maréchal Juin CS 45053 14050 CAEN cedex 04 - France)
- NU - Normandie Université (Esplanade de la Paix - CS 14032 - 14032 Caen Cedex 5 - France)
- UNICAEN - Université de Caen Normandie (Esplanade de la Paix - CS 14032 - 14032 CAEN Cedex 5 - France)
- NU - Normandie Université (Esplanade de la Paix - CS 14032 - 14032 Caen Cedex 5 - France)
2
Vilnius University [Vilnius] (3 Universiteto St, LT-01513 Vilnius - Lithuania)
3
LaMIPS - Laboratoire de Microélectronique et de Physique des Semiconducteurs (Campus Effiscience 2 Esplanade Anton Philips BP 20000 14906 Colombelles - France)
- CNRS - Centre National de la Recherche Scientifique : UMR6508 (France)
- ENSICAEN - École Nationale Supérieure d'Ingénieurs de Caen (6, Boulevard du Maréchal Juin CS 45053 14050 CAEN cedex 04 - France)
- NU - Normandie Université (Esplanade de la Paix - CS 14032 - 14032 Caen Cedex 5 - France)
- UNICAEN - Université de Caen Normandie (Esplanade de la Paix - CS 14032 - 14032 CAEN Cedex 5 - France)
- NU - Normandie Université (Esplanade de la Paix - CS 14032 - 14032 Caen Cedex 5 - France)
- NXP Semiconductors [France] (Esplanade Anton-Philips, campus Effiscience, 14906 Caen cedex 9 - France)
4
IMMM - Institut des Molécules et Matériaux du Mans (UFR Sciences et Techniques - Le Mans Université - Avenue Olivier Messiaen - 72085 LE MANS Cedex 9 - France)
- CNRS - Centre National de la Recherche Scientifique : UMR6283 (France)
- UM - Le Mans Université (Avenue Olivier Messiaen - 72085 Le Mans cedex 9 - France)
5
Department of Computer Science - University of Verona (Strada le Grazie 15
37134 Verona - Italy)
6
University of Trento [Trento] (via Calepina, 14 - I-38122 Trento
- Italy)
7
GEOPS - Géosciences Paris Sud (Université Paris Sud, bâts. 504 & 510, 91405 ORSAY Cedex - France)
- UP11 - Université Paris-Sud - Paris 11 (Bâtiment 300 - 91405 Orsay cedex - France)
- CNRS - Centre National de la Recherche Scientifique : UMR8148 (France)
8
3SR - Laboratoire sols, solides, structures - risques [Grenoble] (Domaine Universitaire BP53 38041 Grenoble Cedex 9 - France)
- Grenoble INP - Institut polytechnique de Grenoble - Grenoble Institute of Technology (46 avenue Félix Viallet 38031 Grenoble Cedex 1 - France)
- CNRS - Centre National de la Recherche Scientifique : UMR5521 (France)
- UGA [2016-2019] - Université Grenoble Alpes [2016-2019] (CS 40700 - 38058 Grenoble cedex - France)
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 an appropriate 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 comprises 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 (http//www.crystallography.net/cod and Theoretical Crystallography Open Database (http//www.crystallography.net/tcod/). The syntax adopted to format entries in the ROD is based on the worldwide recognized and used CIF format, which offers a simple way for data exchange, writing and description. ROD also uses JCAMP-DX files as an alternative format for submitted spectra. JCAMP-DX files are compatible to varying degrees with most commercial Raman software and can be read and edited using standard text editors. © 2019 Yassine El Mendili et al. Journal of Applied Crystallography published by IUCr Journals.
Document type :
Journal articles
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https://hal.archives-ouvertes.fr/hal-02278534
Contributor : Elisabeth van T Hof <>
Submitted on : Wednesday, September 4, 2019 - 2:38:49 PM
Last modification on : Friday, November 20, 2020 - 12:54:03 PM
Contributor : Elisabeth van T Hof <>
Submitted on : Wednesday, September 4, 2019 - 2:38:49 PM
Last modification on : Friday, November 20, 2020 - 12:54:03 PM
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- HAL Id : hal-02278534, version 1
- DOI : 10.1107/S1600576719004229
Collections
ENSICAEN | COMUE-NORMANDIE | UNIV-LEMANS | CNRS | GEOPS | INC-CNRS | 3S-R | UNICAEN | IMMM-LEMANS | UGA
Citation
Y. El Mendili, A. Vaitkus, A. Merkys, S. Gražulis, D. Chateigner, et al.. Raman Open Database first interconnected Raman–X-ray diffraction open-access resource for material identification. Journal of Applied Crystallography, International Union of Crystallography, 2019, 52 (3), pp.618-625. ⟨10.1107/S1600576719004229⟩. ⟨hal-02278534⟩
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