Abstract

AbstractA polar indium thioantimonate, namely [Ni(en)3][InSbS4] (1) (en = ethylenediamine), has been synthesized under solvothermal conditions. Its structure features a left‐handed helical anionic chain of [InSbS4]n2n– moieties built upon trinuclear heterometallic clusters of {In2SbS8} as secondary building units. The [Ni(en)3]2+ cations, acting as structure directors and charge balancing agents, are located among the chains and form extensive N–H···S and C–H···S hydrogen bonds with the S atoms of the anionic chains. The thermal stability, optical and ferroelectric properties, as well as theoretical band structure and density of states (DOS) have been studied.

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