Information card for entry 1557152

Structure parameters

• Common name: Double Carbonate K2Ca2(CO3)3
• Formula: C3 Ca2 K2 O9
• Calculated formula: C3 Ca2 K2 O9
• SMILES: C(=O)([O-])[O-].[Ca+2].[K+].[K+].C(=O)([O-])[O-].C(=O)([O-])[O-].[Ca+2]
• Title of publication: Crystal Structure of the Double Carbonate K2Ca2(CO3)3
• Authors of publication: Winbo, Camilla; Bostrom, Dan; Gobbels, Matthias
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1997
• Journal volume: 51
• Pages of publication: 387 - 391
• a: 13.01 ± 0.004 Å
• b: 13.01 ± 0.004 Å
• c: 8.615 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1262.8 ± 0.7 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No