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Crystal and Electronic Structures of (BEDT–TTF)2[MHg(SCN)4](M=K and NH4)

Bulletin of the Chemical Society of Japan · 1990 · Vol. 63(8) · pp. 2183–2190

Hatsumi Mori✉Shōji Tanaka(International Superconductivity Technology Center)M. Oshima(Institute for Solid State Physics and Optics)Gunzi Saito(Institute for Solid State Physics and Optics)Takehiko Mori(Institute for Molecular Science)Yusei Maruyama(Institute for Molecular Science)Hiroo Inokuchi(International Superconductivity Technology Center)

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Abstract

Abstract The crystal structures of (BEDT–TTF)2[MHg(SCN)4] (M=K at 298 and 104 K and M=NH4 at 298 K) were determined by X-ray analyses. A donor layer and an anion sheet stack alternately along the b-axis. The packing pattern of the donor is close to α-phase, while an anion sheet constructs a thick two-dimensional polymer plane parallel to (010). The linkage of (Remark: Graphics omitted.) (or NH4) (Remark: Graphics omitted.) in an anion sheet is very unique. The band structure calculation indicates both a closed and an open Fermi surfaces, resembling that of κ-(BEDT–TTF)2[Cu(NCS)2].

Organic and Molecular Conductors Research Magnetism in coordination complexes N-Heterocyclic Carbenes in Organic and Inorganic ChemistryChemistryCrystallographyIonCrystal structureCrystal (programming language)Plane (geometry)Geometry

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