Information card for entry 4001421

Structure parameters

• Common name: Chevrel phase
• Chemical name: zinc dihydroxide divanadate dihydrate
• Formula: Cu4.37 Mg0.22 Mo18 S24
• Calculated formula: Cu4.36878 Mg0.2079 Mo18 S24
• Title of publication: Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction
• Authors of publication: Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.
• Journal of publication: Chemistry of Materials
• Year of publication: 2007
• Journal volume: 19
• Journal issue: 21
• Pages of publication: 5131
• a: 9.548 ± 0.002 Å
• b: 9.548 ± 0.002 Å
• c: 10.375 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 819.1 ± 0.3 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• 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: 5.4966
• Goodness-of-fit parameter for all reflections: 1.98
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.35008 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No