Synthesis and Structural Analysis of Ba<sub>3</sub>V<sub>2</sub>O<sub>3</sub>S<sub>4</sub>
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A new quaternary barium vanadium oxysulfide, Ba3V2O3S4, was synthesized using the molten salt flux method. This solid-state compound crystallizes in the hexagonal space group P63 (No. 173) with a = 10.1661(6) Å, c = 5.9306(4) Å, V = 530.81(6) Å3, and Z = 2. It consists of face-sharing VS6 octahedral chains and discrete VO3S tetrahedra. The Ba atoms are located in the interstitial sites. Computational analysis indicates that this solid should be metallic as the conduction band in the vanadium d orbital region is partially filled.
创建时间：
2016-08-16
