Magnesium Impurities Decide the Structure of Calcium Carbonate Hemihydrate

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Magnesium Impurities Decide the Structure of Calcium Carbonate Hemihydrate

The new and recently detected hydromorph of calcium carbonate, CaCO3·12H2O hemihydrate, has been analyzed via both first-principles and classical theoretical methods. The orientation of the water molecules, that remained unclear in the experiment, has been determined. A structure with symmetry highe...

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Bibliographic Details
Main Authors:	Aufort, Julie, Demichelis, Raffaella
Format:	Journal Article
Language:	English
Published:	AMER CHEMICAL SOC 2020
Subjects:	Science & Technology Physical Sciences Technology Chemistry, Multidisciplinary Crystallography Materials Science, Multidisciplinary Chemistry Materials Science
Online Access:	http://hdl.handle.net/20.500.11937/90824

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