A nonstoichiometric ternary vanadium sulfide, BaxV6S8 (X = 0.41-0.48), was synthesized. This solid-state compound crystallizes in the hexagonal space group P63/m (no. 176) with a = 9.2080(3) Å, c = 3.3169(2) Å, V = 243.55(2) Å3, and Z = 1. The structure of this solid is similar to that of its parent compound V3S4, consisting of face-sharing, distorted octahedral VS6 units. A superconducting transition of the solid at approximately 2.5 K was observed. A computational analysis of the electronic structure using the extended Hückel method is presented.
Synthesis, Structural Analysis, and Superconductivity of BaxV6S8 / O. Fuentes, H. Wang, B.H. Ward, J. Zhang, D.M. Proserpio, F. Calvagna, C.E. Check, K.C. Lobring, C. Zheng. - In: CHEMISTRY OF MATERIALS. - ISSN 0897-4756. - 13:9(2001), pp. 3051-3056.
Synthesis, Structural Analysis, and Superconductivity of BaxV6S8
D.M. Proserpio;
2001
Abstract
A nonstoichiometric ternary vanadium sulfide, BaxV6S8 (X = 0.41-0.48), was synthesized. This solid-state compound crystallizes in the hexagonal space group P63/m (no. 176) with a = 9.2080(3) Å, c = 3.3169(2) Å, V = 243.55(2) Å3, and Z = 1. The structure of this solid is similar to that of its parent compound V3S4, consisting of face-sharing, distorted octahedral VS6 units. A superconducting transition of the solid at approximately 2.5 K was observed. A computational analysis of the electronic structure using the extended Hückel method is presented.
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