Third, our simulation uncovers an anisotropic hydrogen bonding network between BA cations and iodides within octahedra, which is pivotal for both the melting of BA cations and the distortion of the octahedra. At lower temperatures, distortions are more pronounced due to the extended lifetime of hydrogen bonds, and a significant variance in distortions among octahedra is observed due to the anisotropic nature of the hydrogen bonding network.