Information card for entry 2021988

Structure parameters

• Chemical name: Magnesium carbonate hexahysrate
• Formula: C2 H24 Mg2 O18
• Calculated formula: C2 H24 Mg2 O18
• SMILES: C(=O)([O]1[Mg]([OH2])([OH2])([O](C(=O)[O-])[Mg]1([OH2])([OH2])([OH2])[OH2])([OH2])[OH2])[O-].O.O.O.O
• Title of publication: A new hydrate of magnesium carbonate, MgCO~3~·6H~2~O
• Authors of publication: Rincke, Christine; Schmidt, Horst; Voigt, Wolfgang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 3
• a: 12.3564 ± 0.0018 Å
• b: 6.5165 ± 0.0007 Å
• c: 9.9337 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 799.87 ± 0.17 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes