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X-Ray Determination of the Structure of Ice IV

  • Hermann Engelhardt and Barclay Kamb (a1)

Abstract

Ice IV, a wholly metastable ice phase, has a structure based on a framework of tetrahedrally hydrogen-bonded water molecules in a rhombohedral unit cell. The structure involves two non-equivalent types of water molecules and four non-equivalent types of hydrogen bonds. A novel structural feature is a hydrogen bond that passes through the center of a 6-ring of water molecules and links non-adjacent structural layers. The bond network is proton-disordered, even after quenching.

Résumé

La glace IV, qui est une phase totalement métastable a une structure correspondant à un réseau de molécules d’eau liées à leurs voisines par des liaisons hydrogène respectant la symétrie tétraédrale et à une maille élémentaire rhombohédrique. Cette structure implique 2 types de molécules d’eau et 4 types de liaisons hydrogène. Le caractère structural original est dans le fait que des liaisons hydrogène passent à travers des anneaux de 6 molécules d’eau, reliant ainsi des couches non adjacentes. Il n’y a pas d’ordre protonique dans le réseau de liaisons, même après trempe.

Zusammenfassung

Eis IV, eine völlig metastabile Eisphase, besitzt eine Struktur, die auf einem Gerüst von tetraedrisch über Wasserstoffbrücken gebundenen Wassermolekülen in einer rhomboedrischen Elementarzelle beruht. Die Struktur verknüpft zwei ungleichwertige. Typen von Wassermolekülen und vier ungleichwertige Typen von Wasserstoffbrückenbindungen, Ein neuartiges Strukturmerkmal ist eine Wasserstoff brückenbindung, die durch den Mittelpunkt eines Sechsrings von Wassermolekülen hindurchgeht und nicht-aneinandergrenzende Lagen der Struktur verbindet. Das Bindungsnetzwerk ist in bezug auf die Protonen ungeordnet, selbst nach Abschreckung.

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Copyright

References

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Engelhardt, H., and Whalley, E. 1972. Ice IV. Journal of Chemical Physics, Vol. 56, No. 6, p. 2678–84.
Kamb, W. B. [ c 1968.] Ice polymorphism and the structure of water. (In Rich, A., and Davidson, N., ed. Structural chemistry and molecular biology. San Francisco and London. W. H. Freeman and Co., p. 507–42.)
Pauling, L. 1960. The nature of the chemical bond. Ithaca, N.Y., Cornell University Press.
Whalley, E. 1976. The hydrogen bond in ice. (In Schuster, P., and others, ed. The hydrogen bond. III. Dynamics, thermodynamics and special systems. Edited by P. Schuster, G. Zundel, C. Sandorfy. Amsterdam. North-Holland Publishing Co., p. 1427–70.)

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