Information card for entry 1560348

Structure parameters

• Common name: merwinite
• Formula: Ca3 Mg O8 Si2
• Calculated formula: Ca3 Mg O8 Si2
• SMILES: [Si]([O-])([O-])([O-])[O-].[Si]([O-])([O-])([O-])[O-].[Ca+2].[Ca+2].[Mg+2].[Ca+2]
• Title of publication: A new Ca3MgSi2O8 compound and some of its thermodynamic properties
• Authors of publication: Bao, Xinjian; Zhang, Yanyao; Zhang, Zhigang; Zhang, Lifei; Liu, Xiaoyang; Dong, Jianjun; Liu, Xi
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 255
• Pages of publication: 145 - 149
• a: 9.344 ± 0.004 Å
• b: 5.308 ± 0.003 Å
• c: 13.29 ± 0.006 Å
• α: 90°
• β: 92.072 ± 0.007°
• γ: 90°
• Cell volume: 658.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No