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The  81 Br and  127 I NQR spectra were recorded in CH 3 NH 3  HgBr 3  and CH 3 NH HgI 3  , respectively. In addition to a phase transition at 338 K, successive phase transitions take place at 127 ± 1, 184±1 and 243±5 K in CH 3 NH 3  HgBr 3 . On heating, the resonance lines of CH 3 NH 3 HgI 3  disappear near a phase transition at 328 K and one line appears above this temperature. The temperature variations of the resonance frequencies of the terminal halogen atoms in both crystals are extraordinarily steep. This indicates the large amplitude molecular motions expected for the CH 3 NH 3  cations which are linked to the terminal halogen atoms through N-H ··· X type H-bonding.

81 Br and 127 I NQR and Phase Transitions in CH 3 NH 3 HgBr 3 and CH 3 NH 3 HgI 3