Information card for entry 1561319

Structure parameters

• Chemical name: K2 Sn Ta6 Br18
• Formula: Br18 K2 Sn Ta6
• Calculated formula: Br18 K2 Sn Ta6
• Title of publication: Crystal structure of the new A 2 SnTa 6 X 18 (A = K, Rb, Cs; X = Cl, Br) cluster compounds
• Authors of publication: Lemoine, P.; Wilmet, M.; Malaman, B.; Paofai, S.; Dumait, N.; Cordier, S.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 257
• Pages of publication: 72 - 79
• a: 9.7497 ± 0.0012 Å
• b: 9.7497 ± 0.0012 Å
• c: 27.0453 ± 0.0032 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2226.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No