Information card for entry 4101529

Structure parameters

• Formula: Cs H10.84 K N2.71 Rb1.29 S17 Sn5 Zn4
• Calculated formula: Cs K N2.72 Rb1.292 S17 Sn5 Zn4
• Title of publication: Unique pore selectivity for Cs+ and exceptionally high NH4+ exchange capacity of the chalcogenide material K6Sn[Zn4Sn4S17].
• Authors of publication: Manos, Manolis J; Chrissafis, Konstantinos; Kanatzidis, Mercouri G
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 27
• Pages of publication: 8875 - 8883
• a: 13.8184 ± 0.0004 Å
• b: 13.8184 ± 0.0004 Å
• c: 10.0456 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1918.19 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 119
• Hermann-Mauguin space group symbol: I -4 m 2
• Hall space group symbol: I -4 -2
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No