Abstract
The structures of deuterated pyrochroite, Mn(OD)2 and β−Cο(OD)2 have been refined using the Rietveld method and neutron powder diffraction data collected in an opposed-anvil high pressure (Paris-Edinburgh) cell from room pressure to 9 GPa. The equation of state for Mn(OD)2 was determined (K=41(3) GPa for fixed K′=4.7) and found to be consistent with previous studies of the isostructural brucite, Mg(OD)2. The compressibility of β−Cο(OD)2 on the other hand is apparently anomalous. The c-axis initially decreases at 3 times the rate of decrease of the a-axis; the ratio decreases to about 1.5 at an estimated 6 GPa before increasing again beyond this pressure. There is no obvious corresponding anomaly in the details of the atomic structure. In both materials there is an increase in the D-site disorder with pressure. A split-site model for the D-positions best fits the data at pressures above 8 GPa. There is no statistically significant increase in the O-D interatomic distance at increased pressure while the hydrogen bonding interaction D...O appears to increase as this distance decreases and the O-D...O angle increases. The intramolecular O-D bond valences, determined indirectly from the intermolecular D...O distances, decrease steadily for both materials as pressure is increased.
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Received: 31 October 1996 / Revised, accepted: 27 February 1997
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Parise, J., Theroux, B., Li, R. et al. Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and β-Co(OD)2.. Phys Chem Min 25, 130–137 (1998). https://doi.org/10.1007/s002690050095
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DOI: https://doi.org/10.1007/s002690050095