Information card for entry 2227109

Structure parameters

• Chemical name: dithallium nonamolybdenum undecaselenide
• Formula: Mo9 Se11 Tl2
• Calculated formula: Mo9 Se11 Tl2
• Title of publication: Tl~2~Mo~9~Se~11~
• Authors of publication: Gougeon, Patrick; Gall, Philippe; Potel, Michel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: i56
• a: 9.6212 ± 0.0001 Å
• b: 9.6212 ± 0.0001 Å
• c: 36.3316 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2912.55 ± 0.07 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.37
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes