Information card for entry 7031941

Structure parameters

• Common name: Barium Iron Sulfide
• Chemical name: Barium Iron Sulfide
• Formula: Ba6 Fe25 S27
• Calculated formula: Ba6 Fe25 S27
• Title of publication: Magnetically stabilized Fe8(μ4-S)6S8 clusters in Ba6Fe25S27.
• Authors of publication: Stacey, Timothy E.; Borg, Christopher K. H.; Zavalij, Peter J.; Rodriguez, Efrain E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 39
• Pages of publication: 14612 - 14624
• a: 10.2057 ± 0.0009 Å
• b: 10.2057 ± 0.0009 Å
• c: 10.2057 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1062.99 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.014
• Residual factor for significantly intense reflections: 0.0136
• Weighted residual factors for significantly intense reflections: 0.0392
• Weighted residual factors for all reflections included in the refinement: 0.0395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No