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Proton Ordering in Cubic Ice. II. Structure of Optimal Configurations

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Abstract

The configurations of the ground energy state of cubic ice obtained previously using the model of strong and weak H-bonds are analyzed. It is established that the stepwise ordered structure is a defectless axial twin. A peculiarity of the twin lies in the fact that strict crystal ordering in its regions is due to the presence of the boundary and its structure. The difference between the structures of the hexagonal layers of ices Ih and Ic is revealed. It is shown that the one-dimensionally disordered layered state in the base planes has antiferroelectric ordering.

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Authors and Affiliations

  1. Siberian Branch, Russian Academy of Sciences, Institute of Earth's Cryosphere, Tyumen

    M. V. Kirov

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  1. M. V. Kirov
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Kirov, M.V. Proton Ordering in Cubic Ice. II. Structure of Optimal Configurations. Journal of Structural Chemistry 42, 592–597 (2001). https://doi.org/10.1023/A:1013189725522

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  • DOI: https://doi.org/10.1023/A:1013189725522

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