Ba3NbAs3O: synthesis, crystal structure, Raman spectroscopy and bonding analysis

Authors
Monconduit, L Tillard, M Favier, F Belin, C
Citation
L. Monconduit et al., Ba3NbAs3O: synthesis, crystal structure, Raman spectroscopy and bonding analysis, J ALLOY COM, 284(1-2), 1999, pp. 124-127
Citations number
16
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
JOURNAL OF ALLOYS AND COMPOUNDS
ISSN journal
09258388 → ACNP
Volume
284
Issue
1-2
Year of publication
1999
Pages
124 - 127
Database
ISI
SICI code
0925-8388(19990304)284:1-2<124:BSCSRS>2.0.ZU;2-7
Abstract
The crystal structure of Ba3NbAs3O has been solved by crystal X-ray analysi s (CAD-4 automatic diffractometer, Mo K alpha radiation). The compound crys tallizes in space group Pnma, a=6.724(2), b=11.100(2), c=13.462(3) Angstrom , V=1004.7(4) Angstrom(3), Z=4. The structure has been refined to R1=0.0343 for 964 independent reflections, it can be described as packing of nearly tetrahedral NbAs3O6- anions, their coordination by Ba2+ cations forming int erconnected trigonal prisms. The chemical bonding has been analyzed by MO c alculations and Raman spectroscopy. (C) 1999 Elsevier Science S.A. All righ ts reserved.