Information card for entry 2019189

Structure parameters

• Common name: Cs2.91Na1.34Fe0.25[Fe3O(SO4)6(H2O)3].5H2O
• Chemical name: tricaesium sodium iron(III) μ~3~-oxido-hexa-μ~2~-sulfato-tris[aquairon(III)] pentahydrate
• Formula: Cs2.91 Fe3.25 H16 Na1.34 O33 S6
• Calculated formula: Cs2.911 Fe3.25 H16 Na1.339 O33 S6
• Title of publication: Cs~2.91~Na~1.34~Fe^3+^~0.25~[Fe~3~O(SO~4~)~6~(H~2~O)~3~]·5H~2~O, a member of the Maus's salt family
• Authors of publication: Mereiter, Kurt
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: 1085 - 1090
• a: 17.183 ± 0.005 Å
• b: 9.482 ± 0.003 Å
• c: 20.058 ± 0.007 Å
• α: 90°
• β: 110.42 ± 0.01°
• γ: 90°
• Cell volume: 3062.7 ± 1.7 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No