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(TaSe$_4$)$_3$I, a compound belonging to the family of quasi-one-dimensionaltransition-metal tetrachalcogenides, has drawn significant attention due to arecent report on possible coexistence of two antagonistic phenomena,superconductivity and magnetism below 2.5~K (Bera et. al, arXiv:2111.14525).Here, we report a structural phase transition of the trimerized phase attemperature, $T~\simeq$~145~K using Raman scattering, specific heat, andelectrical transport measurements. The temperature-dependent single-crystalX-ray diffraction experiments establish the phase transition from ahigh-temperature centrosymmetric to a low-temperature non-centrosymmetricstructure, belonging to the same tetragonal crystal family. The first-principlecalculation finds the aforementioned inversion symmetry-breaking structuraltransition to be driven by the hybridization energy gain due to the off-centricmovement of the Ta atoms, which wins over the elastic energy loss.

Centrosymmetric-noncentrosymmetric Structural Phase Transition in Quasi one-dimensional compound, (TaSe$_4$)$_3$I