At the low temperature phase of 50 K and 125 K, denser trajectories are observed near the corners of the cage, areas highlighted by transparent rectangles with a red tint. This suggests that the [N H 3 ] + group is more likely to be found in these regions, due to more persistent hydrogen bonding between the [N H 3 ] + group and the iodides close to the corner. By contrast, in the high temperature phase at 150 K, denser N trajectories are noticeable near the edges of the cage, suggesting more persistent hydrogen bonding between the [N H 3 ] + group and the iodides close to the edge. As will be shown in the subsequent section, this shift in the hydrogen bonding pattern between BA cations and iodides within the octahedra leads to distinct octahedral distortions.