Information card for entry 1566037

Structure parameters

• Common name: Bredigite
• Formula: Ca7 Mg O16 Si4
• Calculated formula: Ca7 Mg O16 Si4
• SMILES: [O-][Si]([O-])([O-])[O-].[Ca+2].[Ca+2].[Mg+2].[O-][Si]([O-])([O-])[O-].[Ca+2].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2]
• Title of publication: Crystal Structure and Some Thermodynamic Properties of Ca7MgSi4O16-Bredigite
• Authors of publication: Bao, Xinjian; He, Mingyue; Zhang, Zhigang; Liu, Xi
• Journal of publication: Crystals
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 14
• a: 18.3434 ± 0.0017 Å
• b: 6.7313 ± 0.0008 Å
• c: 10.8844 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1344 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No