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Trithallium hydrogen bis(sulfate), Tl(3)H(SO(4))(2), in the super-ionic phase by X-ray powder diffraction
Yasumitsu Matsuo1, Shinya Kawachi, Yuya Shimizu
1Department of Applied Physics, Faculty of Science, Tokyo University of Science, 1-3 Kagurazaka, Shinjuku-ku, Tokyo 162-8601, Japan. ymatsuo@rs.kagu.sut.ac.jp
Summary
The crystal structure of trithallium hydrogen bis(sulfate) in its super-ionic phase was determined using X-ray diffraction. This revealed shorter hydrogen bonds and less distorted sulfate tetrahedra compared to similar compounds.
Area of Science:
- Solid-state chemistry
- Crystallography
- Materials science
Background:
- Trithallium hydrogen bis(sulfate) (Tl(3)H(SO(4))(2)) exhibits a super-ionic phase.
- Comparison with M(3)H(SO(4))(2) (M = Rb, Cs, NH(4)) suggests structural similarities.
Purpose of the Study:
- To determine the crystal structure of Tl(3)H(SO(4))(2) in its super-ionic phase.
- To analyze hydrogen bonding and sulfate tetrahedron distortion.
Main Methods:
- Rietveld analysis of X-ray powder diffraction data.
- Utilizing atomic parameters from isotypic Rb(3)H(SeO(4))(2) as a starting model.
Main Results:
- The structure was determined in the trigonal space group R3m.
- A slightly shortened O-H...O hydrogen bond separation was observed compared to isotypic M(3)H(SeO(4))(2) crystals.
- The sulfate tetrahedra in Tl(3)H(SO(4))(2) exhibit less distortion than in isotypic crystals.
Conclusions:
- The super-ionic phase of Tl(3)H(SO(4))(2) is isostructural with high-temperature M(3)H(SO(4))(2) crystals.
- Structural analysis provides insights into the properties of super-ionic sulfates.