A new crystal structure for (BEDT-TTF)2SbF6 and some of its physical properties

A new crystal structure forbis (ethylenedithio)tetrathiafulvalene (BEDT-TTF) ₂ SbF₆] was determined by single crystal X-ray diffraction. The crystal structure was refined in theP - 1 space group at room temperature. Crystal data for new structure are as follows: triclinic, a = 8.670 (2) Å,b = 8 664 (2) Å,c = 16.842 (5) Å,α = 89°.29 (2),β = 90°.71 (3),γ = 92°.67 (1),V = 1263.64 Å ³,Z = 2,D _x = 2.136 g cm ^-3, (Mo-Kα),λ = 0.7107 Å,R = 0.057 for a total of 5517 independent reflections. The donors form a trimerized column, and the band structure calculated by the tightbinding approximation shows band insulator properties. The temperature dependent of the d.c. resistivity shows a semiconducting behaviour with room temperature resistivity along the c-axis; ρ ₂₉₀ K = 5.6 ohm cm.