Structure and conductivity of a new phase of 3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalene hexafluorophosphate: γ-(BEDT-TTF)2PF6

Autor:	B. Lederle, I. Cisarova, X. Bu, M. J. Naughton, Philip Coppens
Rok vydání:	1992
Předmět:	Superconductivity Band gap Stereochemistry Formal charge General Medicine Crystal structure Conductivity Triclinic crystal system General Biochemistry Genetics and Molecular Biology Crystallography chemistry.chemical_compound chemistry Hexafluorophosphate Tetrathiafulvalene
Zdroj:	Acta Crystallographica Section C Crystal Structure Communications. 48:516-519
ISSN:	0108-2701
DOI:	10.1107/s0108270191009320
Popis:	T-(CloHsSs)2PF6, Mr = 914.34, triclinic, P1, a = 6.607 (2), b = 14.988 (2), c = 16.803 (3)/~, a = 78.27 (1), /3 = 88.55 (2), y= 87.78 (2) °, V= 1627.8 (8) A 3, Z = 2, Dx = 1.87 g cm -3, a(Mo Ka) = 0.71073 A,/z = 11.22 cm- ', F(000) = 922, room tem- perature, R(F) -- 0.050, wR(F)=0.063 for 3768 unique reflections. The structure consists of layers of BEDT-TTF cations with a formal charge of +0.5. The slightly disordered PF6 anions are located in layers between the BEDT-TTF sheets. The packing is compared with that in the previously reported a and /3 phases. Conductivity measure- ments indicate T-(CloH8S8)2PF6 to be a semicon- ductor with a band gap of 60-80 meV. Introduction. Salts of BEDT-TTF are of particular interest because of their unusual solid-state proper- ties. The organic superconductors with highest Tc known to date, such as x-(BEDT-TTF)2(Cu(NCS)2) (Saito, Urayama, Yamochi & Oshima, 1988), K-(BEDT-TTF)aCu(N(CN)2)Br and K-(BEDT- TTF)2Cu(N(Cb02)C1 (Wang et al., 1991; Kini et al.
Databáze:	OpenAIRE
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