K. Yamashita, K. Komatsu, T. Hattori
Dec 1, 2019
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Influential Citations
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Journal
Acta crystallographica. Section C, Structural chemistry
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.