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Hydrogen bonding in ikaite, CaCO3.6H2O

Published online by Cambridge University Press:  05 July 2018

I. P. Swainson  and
R. P. Hammond
I. P. Swainson*
Affiliation:
Neutron Program for Materials Research, National Research Council of Canada, Chalk River Laboratories, Chalk River, ON, K0J 1J0, Canada
R. P. Hammond
Affiliation:
Neutron Program for Materials Research, National Research Council of Canada, Chalk River Laboratories, Chalk River, ON, K0J 1J0, Canada
*
* E-mail: ian.swainson@nrc.gc.ca
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Abstract

Ikaite is a metastable hexahydrate of calcium carbonate, forming in aqueous conditions near freezing conditions. Neutron powder diffraction data of synthetic deuterated ikaite, collected at seven temperatures from 4 to 270 K, were refined. The linear thermal expansion coefficients are quite anisotropic, being smaller in the direction of the C—O bond. A review of the hydrogen-bonding scheme around the (CaCO03) ion pair is given and an additional weak potential hydrogen bond is suggested. Temperature-dependent growth of the atomic displacement factors of the carbonate O1 atom agrees with the previous suggestion of a possible low-frequency, hindered librational mode of the carbonate group.

Keywords

ikaitehydrogen bondingpowder neutron diffractioncalcium carbonate hexahydrate.
Type
Research Article
Information
Mineralogical Magazine , Volume 67 , Issue 3 , June 2003 , pp. 555 - 562
Copyright
Copyright © The Mineralogical Society of Great Britain and Ireland 2003

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