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New insights about the structural properties of κ-(BEDT-TTF)2X2(CN)3 (X=Cu and Ag) Spin Liquids

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Here, the first accurate study is presented of the room-temperature and 100 K structures of one of the first organic spin liquids, 􏰗-(BEDT-TTF)2Ag2(CN)3. It is shown that the monoclinic structure determined previously is only the average one. It is shown that the exact structure presents triclinic symmetry with two non-equivalent dimers in the unit cell. But surprisingly this does not lead to a sizeable charge disproportionation between dimers. The difference from the analogue compound 􏰗-(BEDT-TTF)2Cu2(CN)3 which also presents a spin liquid phase is discussed in detail. The data provided here show the importance of the anionic layer and in particular the transition metal position in the process of symmetry breaking. The possible impact of the symmetry breaking, albeit weak, on the spin-liquid mechanism and the influence of various disorders on the physical properties of this system is also discussed.

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Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 2020, vol. B76, num. 4, p. 581-590

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(c) International Union of Crystallography, 2020

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Articles publicats en revistes (Ciència dels Materials i Química Física)

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New insights about the structural properties of κ-(BEDT-TTF)2X2(CN)3 (X=Cu and Ag) Spin Liquids