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

[摘要] A new crystal structure for bis(ethylenedithio)tetrathiafulvalene [(BEDTâ€�?�TTF)₂ SbF₆] was determined by single crystal X-ray diffraction. The crystal structure was refined in the $P overline{1}$ space group at room temperature. Crystal data for new structure are as follows: triclinic, ð‘�? = 8.670 (2) Ã�?, ð‘�? = 8.664 (2) Ã�?, ð‘�? = 16.842 (5) Ã�?, ð›�? = 89$^circ cdot$29 (2), ð›�? = 90$^circ cdot$71 (3), ð›�? = 92$^circ cdot$67 (1), ð‘�?? = 1263.64 Ã�?³, ð‘�? = 2, 𝐷_ð‘�? = 2.136 g cm^-3, (Moâ€�?�Kð›�?), ð›�? = 0.7107 Ã�?, ð‘�?? = 0.057 for a total of 5517 independent reflections. The donors form a trimerized column, and the band structure calculated by the tight-binding approximation shows band insulator properties. The temperature dependent of the d.c. resistivity shows a semiconducting behaviour with room temperature resistivity along the ð‘�?-axis; $ho_{290 K}$ = 5.6 ohm cm.

[学科分类] 材料工程

[关键词] Organic conductors;ð›�?-(ET)2PF6;(ET2)SbF6;electrocrystallization.