Information card for entry 2208196

Structure parameters

• Chemical name: Sodium caesium nonamolybdenum undecasulfide
• Formula: Cs1.14 Mo9 Na2.54 S11
• Calculated formula: Cs1.138 Mo9 Na2.535 S11
• Title of publication: Na~2.54~Cs~1.14~Mo~9~S~11~, a quaternary reduced molybdenum sulfide containing Mo~9~ clusters.
• Authors of publication: Salloum, D.; Gougeon, P.; Potel, M.
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: 35 - i37
• a: 9.8888 ± 0.0002 Å
• b: 9.8888 ± 0.0002 Å
• c: 11.6398 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 985.74 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No