“…Particularly, early transition metal (ETM)-centered fluorides or oxyfluorides with second-order Jahn–Teller (SOJT) effects are inclined to realize large second-harmonic generation (SHG) responses . Usually, ETM-centered fluorides tend to form highly coordinated MF x units (M = ETM, x = 6, 7, 8), like pseudo-hexagonal-packed TiF 6 octahedra in Tl 5 TiF 9 , TaF7 monocapped trigonal prism in CsNaTaF 7 , and TaF 8 bicapped trigonal prisms in CsKTaF 7 or β-K 2 TaF 7…”