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Proton ordering in (NH4)3H(SO4)2 at low-temperature phase transitions
Yoo Jung Sohn1, Karine M Sparta, Sebastian Prinz
1RWTH Aachen University, Institut für Kristallographie, Jägerstr. 17-19, 52056 Aachen, Germany. sohn@xtal.rwth-aachen.de
Proton ordering in triammonium hydrogen disulfate (TAHS) was investigated using neutron diffraction. Decreasing temperatures lead to increased proton ordering within dimers and ammonium groups, influencing successive phase transitions.
Area of Science:
- Crystallography
- Solid-state chemistry
- Materials science
Background:
- Triammonium hydrogen disulfate (TAHS) exhibits complex phase transitions.
- Understanding H-atom disorder is crucial for TAHS properties.
Purpose of the Study:
- Investigate H-atom disorder in TAHS below room temperature.
- Analyze successive phase transitions and their driving mechanisms.
Main Methods:
- Single-crystal neutron diffraction
- Single-crystal X-ray diffraction
- X-ray powder diffraction
Main Results:
- Proton ordering increases in (SO4)H(SO4) dimers and NH4+ groups with decreasing temperature.
- TAHS-IV shows a doubled unit cell and distorted tetrahedra.
- TAHS-V exhibits a completely ordered triclinic structure.
- V/VII phase transition involves a tripling of the unit cell.
Conclusions:
- Dynamical disorder of ammonium groups plays a key role in TAHS phase transitions.
- Landau order parameter quantifies II/III and III/IV transitions.
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