Journal of Applied Crystallography

Volume 38, Part 4 (August 2005)


research papers



J. Appl. Cryst. (2005). 38, 612-618    [ doi:10.1107/S0021889805014226 ]

The incompressibility and thermal expansivity of D2O ice II determined by powder neutron diffraction

A. D. Fortes, I. G. Wood, M. Alfredsson, L. Vocadlo and K. S. Knight

Abstract: Using high-resolution neutron powder diffraction, the molar volume of a pure sample of D2O ice II has been measured, within its stability field, at 225 K, over the pressure range 0.25 < P < 0.45 GPa. Ar gas was used as the pressure medium, to avoid the formation of `stuffed ice' gas hydrates encountered when using He. The third-order Birch-Murnaghan equation of state parameters of helium-free D2O ice II, referenced to 225 K, are: V0,225 = 306.95 ± 0.04 Å3 (1299.7 ± 0.2 kg m-3), K0,225 = 12.13 ± 0.07 GPa, with K'_{0,225} fixed at 6.0. The thermal expansivity of metastable D2O ice II samples recovered to ambient pressure has also been measured, over the range 4.2 < T < 160 K; above 160 K an irreversible transition to ice Ic was observed. The volumetric expansion coefficient, [alpha]V, at P = 0 and T = 225 K, is predicted to be 2.48 × 10-4 K-1.

Keywords: ice II; neutron diffraction; thermal expansion; incompressibility; equation of state.

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