Abstract
The organic–inorganic hybrid non-centrosymmetric material [(C2H5)4N]2ZnI3.86Cl0.14 has been studied by X-ray diffraction (XRD), differential scanning calorimetry (DSC), dielectric and transport measurements. In analogy with the corresponding tetraiodo-zincate analogue, the material crystallizes at room temperature in the tetragonal system, space group P4̅21m (No. 113), with lattice parameters a = 13.743(6) and c = 14.785(10) Å. DSC and XRD characterizations pointed out the occurrence of two phases transitions, one of second order at about 290K and the other of the first order at T = 451K. The former is related to an electrical transition from insulating to thermally activated transport mechanism displaying clear hints of ionic conduction, the latter leads to a phase showing the typical features of plastic crystals in its powder XRD pattern. The pattern was indexed by an orthorhombic cell, a = 15.724(1), b = 17.907(1) and c = 10.585(1) Å, and a reliable model was found and refined in the Pna21 space group. The model consists of ordered tetrahedral ZnCl42− units intercalated by fully disordered tetraethylammonium cations.
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