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Crystal Structure of a High-Pressure Phase of Magnesium Chloride Hexahydrate Determined by In-Situ X-ray and Neutron Diffraction Methods

Crystal Structure of a High-Pressure Phase of Magnesium Chloride Hexahydrate Determined by In-Situ X-ray and Neutron Diffraction Methods

Keishiro Yamashita, Kazuki Komatsu, Takanori Hattori, Shinichi Machida, Hiroyuki Kagi

Acta Crystallogr C Struct Chem. 2019 Dec 1;75(Pt 12):1605-1612.

PMID: 31802749

Abstract:

A high-pressure phase of magnesium chloride hexahydrate (MgCl2·6H2O-II) and its deuterated counterpart (MgCl2·6D2O-II) have been identified for the first time by in-situ single-crystal X-ray and powder neutron diffraction. The crystal structure was analyzed by the Rietveld method for the neutron diffraction pattern based on the initial structure determined by single-crystal X-ray diffraction. This high-pressure phase has a similar framework to that in the known ambient-pressure phase, but exhibits some structural changes with symmetry reduction caused by a subtle modification in the hydrogen-bond network around the Mg(H2O)6 octahedra. These structural features reflect the strain in the high-pressure phases of MgCl2 hydrates.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP7791186	Magnesium chloride hexahydrate		7791-18-6	Price

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