Information card for entry 2244123

Structure parameters

• Chemical name: Tribarium hexahydroxidostannate(IV) bis[selenate(VI)] trihydrate
• Formula: Ba3 H12 O17 Se2 Sn
• Calculated formula: Ba3 H12 O17 Se2 Sn
• SMILES: O=[Se](=O)([O-])[O-].[Ba+2].O=[Se](=O)([O-])[O-].O.[Sn](O)(O)(O)(O)(O)O.O.O.[Ba+2].[Ba+2]
• Title of publication: Ba~3~[Sn(OH)~6~][SeO~4~]~2~·3H~2~O, a hydrated 1:2 double salt of barium hexahydroxidostannate(IV) and barium selenate(VI)
• Authors of publication: Reuter, Hans; Kamaha, Shouassi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 8
• a: 9.255 ± 0.0006 Å
• b: 9.255 ± 0.0006 Å
• c: 11.4441 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 848.92 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0081
• Residual factor for significantly intense reflections: 0.0081
• Weighted residual factors for significantly intense reflections: 0.0179
• Weighted residual factors for all reflections included in the refinement: 0.0179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes