| Initial crystal system | tetragonal |
| Final crystal system | cubic |
| Initial space group | I4/mcm |
| Final space group | Pm-3m |
| Direction | Heating |
| Phase transition temperature | 338.0 K |
Hysteresis: 0
| Initial crystal system | cubic |
| Final crystal system | tetragonal |
| Initial space group | Pm-3m |
| Final space group | I4/mcm |
| Direction | Cooling |
| Phase transition temperature | 338.0 K |
Hysteresis: 0
| Initial crystal system | tetragonal |
| Final crystal system | orthorhombic |
| Initial space group | I4/mcm |
| Final space group | Pnma |
| Direction | Cooling |
| Phase transition temperature | 162.5 K |
Hysteresis: 2.5
Product: Black MAPbI3 Powder
Description: Not explicitly stated in article. But assume close to synthesis methods of the deuterated compounds. Refer to the related data sets.
Method: Synchrotron X-ray powder diffraction
Description: The X-ray powder diffraction measurements were performed on the bending magnet station at DND-CAT sector 5 of the Advanced Photon Source. The X-ray wavelength used was 0.40012(2) Å, selected to reduce X-ray absorption by the sample to an acceptable level. Temperatures were equilibrated for ~10 min after 1 K changes. Refer to Page 10 Table 2.