Synthesis and structural analysis of Ba3V2O3S4

Authors
Calvagna, F Zhang, JH Li, SJ Zheng, C
Citation
F. Calvagna et al., Synthesis and structural analysis of Ba3V2O3S4, CHEM MATER, 13(2), 2001, pp. 304-307
Citations number
21
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science","Material Science & Engineering
Journal title
CHEMISTRY OF MATERIALS
ISSN journal
08974756 → ACNP
Volume
13
Issue
2
Year of publication
2001
Pages
304 - 307
Database
ISI
SICI code
0897-4756(200102)13:2<304:SASAOB>2.0.ZU;2-V
Abstract
A new quaternary barium vanadium oxysulfide, Ba3V2O3S4, was synthesized usi ng the molten salt flux method. This solid-state compound crystallizes in t he hexagonal space group P6(3) (No. 173) with a = 10.1661(6) Angstrom, c = 5.9306(4) Angstrom, V = 530.81(6) Angstrom (3), and Z = 2. It consists of f ace-sharing VS6 octahedral chains and discrete VO3S tetrahedra. The Ba atom s are located in the interstitial sites. Computational analysis indicates t hat this solid should be metallic as the conduction band in the vanadium d orbital region is partially filled.