Information card for entry 7044187

Structure parameters

• Formula: Na6 O S8 Si3
• Calculated formula: Na6 O S8 Si3
• SMILES: [Na+].[Na+].S([Si]1([S-])[S-])[Si]([S-])([S-])S[Si](O1)([S-])[S-].[Na+].[Na+].[Na+].[Na+]
• Title of publication: Na6Si3S8O: first example of sulfide silicate exhibiting unusual tri-polymerized [Si3S8O]6‒ units without the S−O bonds
• Authors of publication: Wu, Kui; Yang, Zhihua; Pan, ShiLie
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 6.8006 ± 0.0008 Å
• b: 14.3414 ± 0.0018 Å
• c: 16.207 ± 0.002 Å
• α: 90°
• β: 90.561 ± 0.008°
• γ: 90°
• Cell volume: 1580.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No