Information card for entry 4001596

Structure parameters

• Common name: Chevrel phase
• Chemical name: zinc dihydroxide divanadate dihydrate
• Formula: Mg Mo6 S8
• Calculated formula: Mg0.99996 Mo6 S8
• Title of publication: Phase Diagram of Mg Insertion into Chevrel Phases, MgxMo6T8(T = S, Se). 1. Crystal Structure of the Sulfides
• Authors of publication: Levi, E.; Lancry, E.; Mitelman, A.; Aurbach, D.; Ceder, G.; Morgan, D.; Isnard, O.
• Journal of publication: Chemistry of Materials
• Year of publication: 2006
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 5492
• a: 9.4592714 ± 0.0000006 Å
• b: 9.4592714 ± 0.0000006 Å
• c: 10.5588446 ± 0.0000005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 818.206 ± 0.00008 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor R(I) for significantly intense reflections: 5.6199
• Goodness-of-fit parameter for all reflections: 1.59
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.9106 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No