Information card for entry 2022100

Structure parameters

• Common name: potassium carnallite
• Chemical name: Potassium chloride magnesium dichloride hexahydrate
• Formula: Cl3 H12 K Mg O6
• Calculated formula: Cl3 H12 K Mg O6
• SMILES: [K+].[Cl-].[Cl-].[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Cl-]
• Title of publication: Crystallization of metastable monoclinic carnallite, KCl·MgCl~2~·6H~2~O: missing structural link in the carnallite family
• Authors of publication: Pannach, Melanie; Paschke, Iris; Schmidt, Horst; Freyer, Daniela; Voigt, Wolfgang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 5
• Pages of publication: 507 - 512
• a: 9.251 ± 0.002 Å
• b: 9.516 ± 0.002 Å
• c: 13.217 ± 0.004 Å
• α: 90°
• β: 90.06 ± 0.02°
• γ: 90°
• Cell volume: 1163.5 ± 0.5 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• 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: 0.045
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes