Information card for entry 7104623

Structure parameters

• Common name: K3ISmGa3B12S12
• Chemical name: K3ISmGa3B12S12
• Formula: B12 Ga3 I K3 S12 Sm
• Calculated formula: B12 Ga3 I K3 S12 Sm
• Title of publication: A facile approach to hexanary chalcogenoborate featuring a 3-D chiral honeycomb-like open-framework constructed from rare-earth consolidating thiogallate-closo-dodecaborate.
• Authors of publication: Guo, Sheng-Ping; Guo, Guo-Cong; Wang, Ming-Sheng; Zou, Jian-Ping; Zeng, Hui-Yi; Cai, Li-Zhen; Huang, Jin-Shun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 29
• Pages of publication: 4366 - 4368
• a: 12.9213 ± 0.0016 Å
• b: 12.9213 ± 0.0016 Å
• c: 9.3181 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1347.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 182
• Hermann-Mauguin space group symbol: P 63 2 2
• Hall space group symbol: P 6c 2c
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No