Information card for entry 2014099

Structure parameters

• Common name: cerium iron sulfide
• Chemical name: tricerium(III) diiron(II,III) heptasulfide
• Formula: Ce3 Fe1.94 S7
• Calculated formula: Ce3 Fe1.942 S7
• Title of publication: Cerium iron sulfide, Ce~3~Fe~1.94~S~7~
• Authors of publication: Mills, Allison M.; Ruck, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: i71 - i72
• a: 10.096 ± 0.002 Å
• b: 10.096 ± 0.002 Å
• c: 5.961 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 526.2 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes