Information card for entry 4303040

Structure parameters

• Formula: Cs1.15 Mo12 S14
• Calculated formula: Cs1.1478 Mo12 S14
• Title of publication: Synthesis, Electronic and Crystal Structures, and Physical Studies of the Superconductor Cs~1Mo12S14, Final Step of the Condensation of the Mo6L8iL6a Unit
• Authors of publication: Patrick Gougeon; Diala Salloum; Jérôme Cuny; Laurent Le Pollès; Marie Le Floch; Régis Gautier; Michel Potel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8337 - 8341
• a: 9.9793 ± 0.0002 Å
• b: 9.9793 ± 0.0002 Å
• c: 6.373 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 549.64 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections included in the refinement: 0.0323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No