Information card for entry 1562016

Structure parameters

• Formula: Ca2 Li2 O7 Si2
• Calculated formula: Ca2 Li2 O7 Si2
• SMILES: [O-][Si](O[Si]([O-])([O-])[O-])([O-])[O-].[Ca+2].[Ca+2].[Li+].[Li+]
• Title of publication: Li2Ca2Si2O7: Structural, spectroscopic and computational studies on a sorosilicate
• Authors of publication: Kahlenberg, Volker; Brunello, Emanuele; Hejny, Clivia; Krüger, Hannes; Schmidmair, Daniela; Tribus, Martina; Többens, Daniel M.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 225
• Pages of publication: 155 - 167
• a: 5.09611 ± 0.00017 Å
• b: 5.09611 ± 0.00017 Å
• c: 41.264 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 928.07 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.38
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No