Information card for entry 4110690

Structure parameters

• Common name: Compound X
• Formula: Cu22.09 Mn4 O8 S16 Sr8
• Calculated formula: Cu22.088 Mn4 O8 S16 Sr8
• Title of publication: Structural Chemistry and Metamagnetism of an Homologous Series of Layered Manganese Oxysulfides
• Authors of publication: Zoltán A. Gál; Oliver J. Rutt; Catherine F. Smura; Timothy P. Overton; Nicolas Barrier; Simon J. Clarke; Joke Hadermann
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 8530 - 8540
• a: 28.2144 ± 0.0015 Å
• b: 5.6837 ± 0.0003 Å
• c: 5.6898 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 912.43 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No