Information card for entry 7020139

Structure parameters

• Common name: CaCO3
• Formula: C Ca O3
• Calculated formula: C Ca O3
• SMILES: C(=O)([O-])[O-].[Ca+2]
• Title of publication: Synthesis, crystal structure and thermal properties of Ca6(C12H14O4)4(CO3)(OH)2(H2O)x‒a 3D inorganic hybrid material.
• Authors of publication: Nielsen, Renie Birkedal; Norby, Poul; Kongshaug, Kjell Ove; Fjellvåg, Helmer
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 39
• Pages of publication: 12082 - 12089
• a: 4.9869 ± 0.0005 Å
• b: 4.9869 Å
• c: 17.0335 ± 0.0026 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 366.86 ± 0.07 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Method of determination: powder diffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No