Information card for entry 4001093

Structure parameters

• Common name: Barium strontium manganese copper oxide sulfide
• Chemical name: Barium strontium manganese copper oxide sulfide
• Formula: Ba2.64 Cu1.96 Mn4 O8 S2 Sr1.36
• Calculated formula: Ba2.64 Cu1.956 Mn4 O8 S2 Sr1.36
• Title of publication: Ba2Mn2O4Cu0.9S: A layered Oxysulfide with a New Perovskite-Related Manganese Oxide Fragment
• Authors of publication: Hyett, Geoffrey; Gál, Zoltán A.; Smura, Catherine F.; Clarke, Simon J.
• Journal of publication: Chemistry of Materials
• Year of publication: 2008
• Journal volume: 20
• Journal issue: 2
• Pages of publication: 559
• a: 3.9595 ± 0.0001 Å
• b: 3.9595 ± 0.0001 Å
• c: 19.2227 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 301.367 ± 0.012 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 6
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :2
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.26
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No