Information card for entry 2021821

Structure parameters

• Common name: Magnesium chloride hexadeuterate
• Chemical name: Magnesium chloride hexadeuterate
• Formula: Cl2 D11.52 H0.48 Mg O6
• Calculated formula: Cl2 D11.52 H0.48 Mg O6
• Title of publication: Crystal structure of a high-pressure phase of magnesium chloride hexahydrate determined by <i>in-situ</i> X-ray and neutron diffraction methods
• Authors of publication: Yamashita, Keishiro; Komatsu, Kazuki; Hattori, Takanori; Machida, Shinichi; Kagi, Hiroyuki
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 12
• a: 5.89632 ± 0.00018 Å
• b: 6.0225 ± 0.0002 Å
• c: 6.0147 ± 0.0002 Å
• α: 86.454 ± 0.004°
• β: 87.276 ± 0.004°
• γ: 70.898 ± 0.003°
• Cell volume: 201.354 ± 0.012 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Goodness-of-fit parameter for all reflections: 2.8
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes