Information card for entry 4322279

Structure parameters

• Formula: Cu2 K1.8 Mo9 S11
• Calculated formula: Cu2.04 K1.777 Mo9 S11
• Title of publication: Synthesis, Structural Evolution, and Theoretical and Physical Studies of the Novel Compounds M2Mo9S11 (M = K, Rb) and Related Metastable Materials CuxK1.8Mo9S11 (x = 0 or 2) Containing Bioctahedral Mo9 Clusters
• Authors of publication: Soazig Picard; Patrick Gougeon; Michel Potel
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4422 - 4429
• a: 9.4215 ± 0.0004 Å
• b: 9.4215 ± 0.0004 Å
• c: 35.444 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2724.7 ± 0.2 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for all reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0213
• Goodness-of-fit parameter for all reflections: 1.42
• Goodness-of-fit parameter for significantly intense reflections: 1.56
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No