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Microbiologically Induced Calcite Precipitation Mediated by Sporosarcina pasteurii

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A new calcium sulfate hemi-hydrate.

Axel Nørlund Christensen¹, Torben R Jensen, André Nonat

¹Crystal Chemistry, Højkolvej 7, DK-8210 Arhus V, Denmark.

Dalton Transactions (Cambridge, England : 2003)

|February 12, 2010

Summary

This study presents the new crystal structure of beta-calcium sulfate hemi-hydrate (beta-CaSO(4).0.5H(2)O), revealing one-dimensional channels crucial for its industrial applications.

Area of Science:

Materials Science
Crystallography
Inorganic Chemistry

Background:

Calcium sulfate hydrates are vital in various industrial applications.
A long-standing debate exists regarding the two polymorphs of gypsum hemi-hydrate: alpha- and beta-CaSO(4).0.5H(2)O.

Purpose of the Study:

To present a new crystal structure for beta-calcium sulfate hemi-hydrate (beta-CaSO(4).0.5H(2)O).
To elucidate the structural characteristics and channel system of beta-CaSO(4).0.5H(2)O.

Main Methods:

Powder neutron diffraction data was utilized for crystal structure solution.
The crystal structure was refined in the P3(1) space group with hexagonal unit cell parameters a = 6.9268(1) Å and c = 12.7565(3) Å.

Main Results:

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A novel crystal structure for beta-CaSO(4).0.5H(2)O was determined, featuring two distinct calcium coordination polyhedra (eight- and nine-coordinated).
The structure exhibits one-dimensional channels along the c-axis containing water molecules, with a 3(1) symmetry packing.
Structural similarities in channel systems were identified between beta-CaSO(4).0.5H(2)O, alpha-CaSO(4).0.5H(2)O, and soluble anhydrite AIII-CaSO(4).

Conclusions:

The confirmed structure of beta-CaSO(4).0.5H(2)O provides critical insights into its properties and behavior.
Understanding these channel structures is essential for optimizing industrial applications of calcium sulfate hydrates.