Cobourne, G, Mountjoy, G, Rodriguez-Blanco, JD et al. (3 more authors) (2014) Neutron and X-ray diffraction and empirical potential structure refinement modelling of magnesium stabilised amorphous calcium carbonate. Journal of Non-Crystalline Solids, 401. 154 - 158. ISSN 0022-3093
Abstract
Amorphous calcium carbonate (ACC) plays a key role in biomineralisation processes in sea organisms. Neutron and X-ray diffraction have been performed for a sample of magnesium-stabilised ACC, which was prepared with a Mg:Ca ratio of 0.05:1 and 0.25 HO molecules per molecule of CO. The empirical potential structure refinement method has been used to make a model of magnesium-stabilised ACC and the results revealed a fair agreement with the experimental diffraction data. The model has well-defined CO and HO molecules. The average coordination number of Ca is 7.4 and is composed of 6.8 oxygen atoms from CO molecules and 0.6 oxygen atoms from HO molecules. The average CaO bond length is 2.40 Å. The distribution of Ca in the model is homogeneous with a uniformly distributed Ca-rich network and no evidence of the Ca-poor channels as previously reported for a reverse Monte Carlo model of ACC.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2014 Elsevier B.V. NOTICE: this is the author’s version of a work that was accepted for publication in Journal of Non-Crystalline Solids. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of Non-Crystalline Solids, 401,(2014) DOI 10.1016/j.jnoncrysol.2013.12.023 |
Keywords: | Amorphous calcium carbonate; EPSR modelling; neutron diffraction; X-ray diffraction |
Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Environment (Leeds) > School of Earth and Environment (Leeds) |
Depositing User: | Symplectic Publications |
Date Deposited: | 18 Sep 2014 10:27 |
Last Modified: | 16 Jan 2018 05:48 |
Published Version: | http://dx.doi.org/10.1016/j.jnoncrysol.2013.12.023 |
Status: | Published |
Publisher: | Elsevier |
Identification Number: | 10.1016/j.jnoncrysol.2013.12.023 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:80236 |