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Title: Pressure-induced structural changes in NH{sub 4}Br

Journal Article · · Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.4927782· OSTI ID:22493512
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  1. State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012 (China)

We report angle dispersive X-ray diffraction (XRD) measurements and Raman spectroscopy on NH{sub 4}Br up to 70.0 GPa at room temperature. Three thermodynamically stable phases (phases II, IV, and V) are confirmed and a new possible phase (phase VI) of P2{sub 1}/m symmetry is proposed whose structure was established from Rietveld refinement of synchrotron XRD data for the first time. The phase sequence observed in NH{sub 4}Br is in accordance with phase II → IV → V → VI. Phase V transforms into phase VI at about 57.8 GPa with a huge volume reduction of 30%. Still, the intramolecular distances are analyzed to better understand the nature of structures. The H–H interactions become markedly more important as the N–Br distances are compacted, which is probably the reason of the kink of symmetric stretching band (ν{sub 1}) at the transition pressure.

OSTI ID:
22493512
Journal Information:
Journal of Chemical Physics, Vol. 143, Issue 6; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
Country of Publication:
United States
Language:
English