Information card for entry 2017665

Structure parameters

• Chemical name: silver thallium molybdenum selenide
• Formula: Ag2.535 Mo12 Se15 Tl2
• Calculated formula: Ag2.535 Mo12 Se15 Tl2
• Title of publication: Ag~2.54~Tl~2~Mo~12~Se~15~: a new structure type containing Mo~6~ and Mo~9~ clusters
• Authors of publication: Gougeon, P.; Gall, P.; Gautier, R.; Potel, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: i67 - i70
• a: 9.9962 ± 0.0001 Å
• b: 9.9962 ± 0.0001 Å
• c: 15.5364 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1344.47 ± 0.03 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes