Information card for entry 4332071

Structure parameters

• Common name: cerium iron sulfide bromide
• Chemical name: cerium iron sulfide bromide
• Formula: Br3 Ce53 Fe12 S90
• Calculated formula: Br3.06 Ce52.9626 Fe12 S90
• Title of publication: Ce53Fe12S90X3(X = Cl, Br, I): The First Rare-Earth Transition-Metal Sulfide Halides
• Authors of publication: Mills, Allison M.; Ruck, Michael
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 5172 - 5178
• a: 13.916 ± 0.001 Å
• b: 13.916 ± 0.001 Å
• c: 21.824 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3660.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.247
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No