Neutron Diffraction Analysis of a Single-Crystal Structure of Rb0.51Tl0.49H2PO4

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概要

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• A crystal structure analysis of the mixed crystal Rb0.51Tl0.49H2PO4 was conducted at ambient temperature by neutron diffraction analysis using a high-quality single crystal grown from an aqueous solution. RbH2PO4 (RDP) and TlH2PO4 (TDP) exhibit clearly different crystal structures from each other, although Rb+ and Tl+ have almost the same ionic radii. The crystal structure of the title compound, i.e., Rb0.51Tl0.49H2PO4, is isotypic to TlH2PO4, having partially disordered H atoms in strong symmetric O…H…O hydrogen bonds. The lone-pair electrons of Tl+ ions are considered to have an effect on the stabilization of the two-dimensional network of hydrogen-bonded PO4 groups. Although the difference in chemical composition is very subtle, in contrast to the previous case of Rb0.46Tl0.54H2PO4, the distribution of the lone-pair electrons seems to change and the hydrogen bond angle, especially for disordered hydrogen atoms, also shows significant changes.

• 2011-08-15

著者

• Lee Kwang-sei

  Department Of Nano Systems Engineering Center For Nano Manufacturing Inje University

• Heger Gernot

  Institut Fur Kristallographie Rwth Aachen

• Oh In-Hwan

  Neutron Science Division, Korea Atomic Energy Research Institute, Daejeon 305-353, Korea

• Meven Martin

  FRM II, Technische Universität München, Lichtenbergstrasse 1, D-85747, Garching, Germany

• Meven Martin

  FRM II, Technische Universität München, Lichtenbergstrasse 1, D-85747 Garching, Germany

• Heger Gernot

  Institut für Kristallographie, RWTH Aachen, Jägerstr. 17-19, D-52056, Aachen, Germany

• Heger Gernot

  Institut für Kristallographie, RWTH Aachen, Jägerstrasse 17-19, D-52056 Aachen, Germany

関連論文

• Phase Diagram of TlH_2(P_As_x)O_4 Mixed Crystals
• Neutron Diffraction Study of a Rb_Tl_H_2PO_4 Single Crystal(Condensed matter: structure and mechanical and thermal properties)
• Polarization Dependence of Lattice-Mode Raman Spectra in Rb_(NH_4)_4H_2PO_4 Crystals
• Nature of the High-Temperature Dielectric Anomaly in TlH_2PO_4
• Ferroelastic Domain Structures of the Low-Temperature Phase Transition in TlH_2PO_4
• Dielectric Study on the Low-Temperature Phase Transition of TlH_2 PO_4
• Dielectric Properties of the Phase Transition in TlH_2AsO_4
• New Phase Transition at 155 K and Thermal Stability in KHCO_3
• Neutron Diffraction Analysis of a Single-Crystal Structure of Rb0.51Tl0.49H2PO4
• The Origin of the Nonexistence of Prototypic Paraelastic Phase in (NH_4)_2SO_4
• Crystal Structure of LiH2PO4 Studied by Single-Crystal Neutron Diffraction

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