Structure of Ice VI

Abstract

Ice VI, a high-pressure form of density 1.31 g cm^(-3), has a tetragonal cell of dimensions a = 6.27 Å, c = 5.79 Å, space group P4_2/nmc, each cell containing ten water molecules. The structure is built up of hydrogen-bonded chains of water molecules that are analogs of the tectosilicate chains out of which the fibrous zeolites are constructed. The chains in ice VI are linked laterally to one another to form an open, zeolite-like framework. The cavities in this framework are filled with a second framework identical with the first. The two frameworks interpenetrate but do not interconnect, and the complete structure can thus be considered a "self-clathrate." This structural feature is a natural way to achieve high density in tetrahedrally linked framework structures.

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