Published March 4, 1999
| Version v1
Journal article
Ba3NbAs3O: synthesis, crystal structure, Raman spectroscopy and bonding analysis
Creators
- 1. Montpellier-2 Univ. (France). Lab. des Agregats Moleculaires et Materiaux Inorganiques
Description
The crystal structure of Ba3NbAs3O has been solved by crystal X-ray analysis (CAD-4 automatic diffractometer, Mo Kα radiation). The compound crystallizes in space group Pnma, a=6.724(2), b=11.100(2), c=13.462(3) A, V=1004.7(4) A3, 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 interconnected trigonal prisms. The chemical bonding has been analyzed by MO calculations and Raman spectroscopy. (orig.)
Additional details
Publishing Information
- Journal Title
- Journal of Alloys and Compounds
- Journal Volume
- 284
- Journal Issue
- 1-2
- Journal Page Range
- p. 124-127
- ISSN
- 0925-8388
- CODEN
- JALCEU
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- Switzerland
- INIS RN
- 30018934
- Subject category
- S36: MATERIALS SCIENCE;
- Descriptors DEI
- BARIUM COMPOUNDS; BOND ANGLE; BOND LENGTHS; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; LATTICE PARAMETERS; RAMAN SPECTRA
- Descriptors DEC
- ALKALINE EARTH METAL COMPOUNDS; SPECTRA
Optional Information
- Notes
- 16 refs.