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Structure and Phase Transitions in M_3H(XO_4)_2-Type Hydrogen-Bonded Crystals

Research Project

Project/Area Number 63044002
Research Category

Grant-in-Aid for Overseas Scientific Survey.

Allocation TypeSingle-year Grants
SectionJoint Research
Research InstitutionHokkaido University

Principal Investigator

ICHIKAWA Mizuhiko (1989)  Faculty of Science, Hokkaido University, Instructor, 理学部, 助手 (00000878)

市川 瑞彦  北海道大, 理, 助手

Co-Investigator(Kenkyū-buntansha) TORBJORN Gus  ウプサラ大学, 化学部, 講師
IVAR Olovsso  ウプサラ大学, 化学部, 教授
MOTIDA Kiyosi  Faculty of Science, Hokkaido University, Instructor, 理学部, 助手 (50001863)
GUSTAFSSON Torbjorn  Institute of Chemistry, Uppsala University, Docent
OLOVSSON Ivar  Institute of Chemistry, Uppsala University, Professor
Project Period (FY) 1988 – 1989
Project Status Completed (Fiscal Year 1989)
Budget Amount *help
¥6,000,000 (Direct Cost: ¥6,000,000)
Fiscal Year 1989: ¥3,000,000 (Direct Cost: ¥3,000,000)
Fiscal Year 1988: ¥3,000,000 (Direct Cost: ¥3,000,000)
KeywordsSlater model / Trirubidium hydrogen diselenate / Trirubidium deuterium diselenate / Structural phase transition / Lattice constants / (Hydrogen) Isotope effect / Hydrogen-bonded crystals / Crystal-structure analysis
Research Abstract

1. In view of the investigation of possible phase-transition mechanism in M_3H(XO_4)_2-type crystals, the configuration energy of H_2PO_4-group in Slater model in typical hydrogen(H)-bonded ferrpelectric KH_2PO_4-type crystals has been interpreted microscopically. The correlation between the tansition temperature and O-H(D) distance could be explained semiquantitatively.
2.1) The lattice constants of Rb_3H(SeO_4)_2 has been measured in the temperature range 20K-297K and no anomaly was found, consistent with the dielectric-constant measurement. 2)The lattice constants in Rb_3D(SeO_4)_2 showed no significant change at the transition temperature (92K), but a very slight anomaly was found in some of the 2rheta angles. These results were discussed in the relation to the characteristic of 'O-dimensional' H-bond network in M_3H(XO_4)_2-type crystals. 3) X-ray crystal-structure analysis of Rb_3H(SeO_4)_2 and Rb_3D(SeO_4)_2 have been done at 25, 110 and 297K. It has been shown that the phase transition in Rb_3D(SeO_4)_2 is such that the heavy-atom structure in the low-temperature phase is almost the same as that in the high-temperature phase, but the hydrogen-bond system and the structural part directly related with it change slightly owing to the ordering of the proton.

Report

(1 results)
  • 1989 Final Research Report Summary
  • Research Products

    (8 results)

All Other

All Publications (8 results)

  • [Publications] K.Motida: "Microscopic Interpretation of the Slater Model of Phase Transition in KH_2PO_4-Type Crystals" J.Phys.Soc.Jpn.58. 2810-2816 (1989)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] M.Ichikawa: "Temperature Dependence of lattice Constants of Rb_3H(SeO_4)_2 A′Zero-Dimensional′H-Bonded Crystal" Ferroelectrics(Proc.7th Int.Meet.Ferroelectricity). (1990)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] M.Ichikawa: "Temperature Dependence of Lattice Constants of Rb_3D(SeO_4)_2" Submitted to Solid State Communication.

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] M.Ichikawa: "Structure of Rb_3H(SeO_4)_2 and Rb_3D(SeO_4)_2 at Three Temperatures(25,110 and 297K)" To be submitted to Acta Crystallography.

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] K. Motida: "Microscopic Interpretation of the Slater Model of Phase Transition in KH_2PO_4-Type Crystals" J. Phys. Soc. Jpn.58. 2810-2816 (1989)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] M. Ichikawa: "Temperature Dependence of Lattice Constants of Rb_3H(SeO_4)_2 A 'Zero-Dimensional' H-Bonded Crystal" Ferroelectrics (Proc. 7th Int. Meet. Ferroelectricity, Saarbrucken. F.R.Germany, 1989). (1990)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] M. Ichikawa: "Temperature Dependence of Lattice Constants of Rb_3D(SeO_4)_2" Solid State Communication.

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1989 Final Research Report Summary
  • [Publications] M. Ichikawa: "Structure of Rb_3H(SeO_4)_2 and Rb_3D(SeO_4)_2 at Three Temperatures (25, 110 and 297K)" Acta Crystallography.

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1989 Final Research Report Summary

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Published: 1988-04-01   Modified: 2016-04-21  

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