Information card for entry 2311812

Structure parameters

• Common name: calcium iodide 6.5 hydrate
• Chemical name: Calcium iodide 6.5-hydrate
• Formula: Ca H13 I2 O6.5
• Calculated formula: Ca H13 I2 O6.5
• Title of publication: Crystal structures of hydrates of simple inorganic salts. II. Water-rich calcium bromide and iodide hydrates: CaBr2 · 9H2O, CaI2 · 8H2O, CaI2 · 7H2O and CaI2 · 6.5H2O.
• Authors of publication: Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2014
• Journal volume: 70
• Journal issue: Pt 9
• Pages of publication: 876 - 881
• a: 16.466 ± 0.003 Å
• b: 8.2919 ± 0.0011 Å
• c: 17.947 ± 0.003 Å
• α: 90°
• β: 111.045 ± 0.012°
• γ: 90°
• Cell volume: 2286.9 ± 0.7 ų
• Cell temperature: 153 ± 1 K
• Ambient diffraction temperature: 153 ± 1 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: 0.0304
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No