Crystal Structure of Charge Ordered Compound .THETA.-(BEDT-TTF)2RbCo(SCN)4 at Low Temperatures

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  • Watanabe Masashi
    Institute of Multidisciplinary Research for Advanced Materials, Tohoku University
  • Noda Yukio
    Institute of Multidisciplinary Research for Advanced Materials, Tohoku University
  • Nogami Yoshio
    The Graduate School of Natural Science and Technology, Okayama University
  • Mori Hatsumi
    The Institute for Solid State Physics, The University of Tokyo

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  • Crystal Structure of Charge Ordered Compound θ-(BEDT-TTF)<sub>2</sub>RbCo(SCN)<sub>4</sub> at Low Temperatures
  • Crystal structure of charge ordered compound θ-(BEDT-TTF)2RbCo(SCN)4 at low temperatures

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The crystal structure of θ-(BEDT-TTF)2RbCo(SCN)4 in its insulating state below TMI (approximately 200 K) was investigated by X-ray diffraction experiments. The transfer integrals between the BEDT-TTF molecules were also calculated from the structural data, and the ionicities of BEDT-TTF molecules were estimated from the intramolecular bond length distribution. A large modulation of transfer integrals and charge disproportionation between BEDT-TTF molecules were found. The ratio of ionicities was 0 to +0.2:+0.8 to +1.0. These results were compared with thoes of the analogous salt θ-(BEDT-TTF)2RbZn(SCN)4.

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