Chemistry

Geometrically frustrated interactions drive structural complexity in amorphous calcium carbonate

T. C. Nicholas, A. E. Stones, et al.

Discover the intricate world of amorphous calcium carbonate (ACC) — a fascinating precursor in biomineralization. This research, conducted by a team of experts from the University of Oxford and others, uncovers the complex geometrical factors driving the unique bonding behaviors of Ca²⁺ ions in ACC.

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Abstract

Amorphous calcium carbonate (ACC) is a metastable precursor in biomineralization. This paper uses high-quality atomistic models and a novel inversion approach to extract the effective Ca…Ca interaction potential. This potential reveals minima at two competing distances, reflecting carbonate ion bridging modes. The parameters map to the Lennard-Jones-Gauss model, known for promoting structural complexity. The study concludes that the complex structure and metastability of ACC are encoded in the geometrically frustrated effective interactions between Ca²⁺ ions.

Publisher

Nature Chemistry

Published On

Jan 01, 2024

Authors

Thomas C. Nicholas, Adam Edward Stones, Adam Patel, F. Marc Michel, Richard J. Reeder, Dirk G. A. L. Aarts, Volker L. Deringer, Andrew L. Goodwin

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