Neutron and x-ray diffraction evidence for a structural phase transition in the sulfur-based ambient-pressure organic superconductor bis(ethylenedithio)tetrathiafulvalene triiodide

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Abstract

A low-temperature structural phase transition in the ambient-pressure organic superconductor, bis(ethylenedithio)tetrathiafulvalene triiodide, ${(\mathrm{B}\mathrm{E}\mathrm{D}\mathrm{T}\ensuremath{-}\mathrm{T}\mathrm{T}\mathrm{F})}_{2}$${\mathrm{I}}_{3}$, abbreviated ${(\mathrm{ET})}_{2}$${\mathrm{I}}_{3}$, has been observed from single-crystal x-ray diffraction and time-of-flight neutron diffraction data. Superlattice peaks with indices of $(\mathrm{hkl})\ifmmode\pm\else\textpm\fi{}q$, where $q=(0.08, 0.27, 0.205)$, appear when crystals are cooled below \ensuremath{\sim}200 K. This is the first example of an incommensurate modulated superstructure in the class of sulfur- and selenium-containing organic superconductors of which ${(\mathrm{ET})}_{2}$${\mathrm{I}}_{3}$ is the first ambient-pressure S-based derivative.

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