Information card for entry 2312594

Structure parameters

• Formula: Ca5.79 K0.72 Na1.71 O19 Si6
• Calculated formula: Ca5.786 K0.717 Na1.714 O19 Si6
• Title of publication: K_0.72Na_1.71Ca_5.79Si₆O₁₉ - the first oligosilicate based on [Si₆O₁₉]-hexamers and its stability compared to cyclosilicates.
• Authors of publication: Kahlenberg, Volker; Krüger, Hannes; Garber, Sonja; Krüger, Biljana; Libowitzky, Eugen; Kröll, Stefanie; Hofer, Thomas S.; Gallmetzer, Josef M.; Purtscher, Felix R. S.
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 5
• Pages of publication: 474 - 487
• a: 7.3659 ± 0.0002 Å
• b: 7.3659 ± 0.0002 Å
• c: 32.2318 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1748.78 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 91
• Hermann-Mauguin space group symbol: P 41 2 2
• Hall space group symbol: P 4w 2c
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No