Information card for entry 4311127

Structure parameters

• Formula: As2 K4 Mn S8
• Calculated formula: As2 K4 Mn S8
• SMILES: [As]12(S[Mn]3(S[As](=S)([S-])S3)(S1)S2)=S.[K+].[K+].[K+].[K+]
• Title of publication: [Mn2(AsS4)4]8- and [Cd2(AsS4)2(AsS5)2]8-: Discrete Clusters with High Negative Charge from Alkali Metal Polythioarsenate Fluxes
• Authors of publication: Ratnasabapathy G. Iyer; Mercouri G. Kanatzidis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3656 - 3662
• a: 9.1818 ± 0.0008 Å
• b: 8.5867 ± 0.0008 Å
• c: 20.3802 ± 0.0019 Å
• α: 90°
• β: 95.095 ± 0.002°
• γ: 90°
• Cell volume: 1600.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No