Information card for entry 2238004

Structure parameters

• Chemical name: Trisodium potassium dodecamolybdenum tetradecasulfide
• Formula: K Mo12 Na2.9 S14
• Calculated formula: K Mo12 Na2.9 S14
• Title of publication: Na~2.9~KMo~12~S~14~: a novel quaternary reduced molybdenum sulfide containing Mo~12~ clusters with a channel structure
• Authors of publication: Gougeon, Patrick; Gall, Philippe; Salloum, Diala
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: i38
• a: 9.3664 ± 0.0001 Å
• b: 9.3664 ± 0.0001 Å
• c: 16.2981 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1238.26 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0306
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes