Ag7TaSe6: a new noncentrosymmetric selenide with fascinating three in one coordination modes and a strong second harmonic generation response

A novel noncentrosymmetric selenide Ag7TaSe6 has been successfully synthesized and fully characterized. It features fascinating three in one coordination modes which provide valuable insights for designing novel nonlinear optical crystals. Furthermore, detailed theoretical and experimental investigations illustrate the origin of Ag7TaSe6's strong nonlinear optical response.