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

• # Fulltext

https://www.ias.ac.in/article/fulltext/boms/028/01/0025-0029

• # Keywords

Organic conductors; 𝛽-(ET)2PF6; (ET2)SbF6; electrocrystallization.

• # Abstract

A new crystal structure for bis(ethylenedithio)tetrathiafulvalene [(BEDT–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, 𝑎 = 8.670 (2) Å, 𝑏 = 8.664 (2) Å, 𝑐 = 16.842 (5) Å, 𝛼 = 89$^\circ \cdot$29 (2), 𝛽 = 90$^\circ \cdot$71 (3), 𝛾 = 92$^\circ \cdot$67 (1), 𝑉 = 1263.64 Å3, 𝑍 = 2, 𝐷𝑥 = 2.136 g cm-3, (Mo–K𝛼), 𝛾 = 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 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 𝑐-axis; $\rho_{290 K}$ = 5.6 ohm cm.

• # Author Affiliations

1. Institute of Fundamental Studies, Hantane Road, Kandy, Sri Lanka
2. Department of Organic and Polymeric Materials, Tokyo Institute of Technology, O-okayama, Tokyo 152-8552, Japan

• # Bulletin of Materials Science

Volume 43, 2020
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• # Editorial Note on Continuous Article Publication

Posted on July 25, 2019

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