Information card for entry 4341950

Structure parameters

• Formula: Cs8 Fe4 S10
• Calculated formula: Cs8 Fe4 S10
• SMILES: [S-][Fe]12([S-])S[Fe]342(S1)S[Fe]124(S[Fe]2([S-])([S-])S1)S3.[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+]
• Title of publication: Cs8[Fe4S10] and Cs7[Fe4S8], Two New Sulfido Ferrates with Different Tetrameric anions.
• Authors of publication: Schwarz, Michael; Röhr, Caroline
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 1038 - 1048
• a: 7.6783 ± 0.001 Å
• b: 8.8557 ± 0.0012 Å
• c: 10.6768 ± 0.0015 Å
• α: 79.013 ± 0.006°
• β: 85.151 ± 0.006°
• γ: 80.185 ± 0.006°
• Cell volume: 701.23 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No