Iodate in calcite, aragonite and vaterite CaCO3: Insights from first-principles calculations

Published: 31-12-2017| Version 1 | DOI: 10.17632/vvypr24z7k.1
Contributor:
Simon Redfern

Description

CIF files providing structure outputs from ab initio calculations of calcite, aragonite and vaterite with and without substituted iodine. Published as X F Feng, S A T Redfern (2018) Iodate in calcite, aragonite and vaterite CaCO3: Insights from first-principles calculations. Geochimica et Cosmochimica Acta

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