Information card for entry 2020961

Structure parameters

• Chemical name: Lithium iodide trihydrate
• Formula: H6 I Li O3
• Calculated formula: H6 I Li O3
• SMILES: [OH2][Li]12([OH2])([OH2])[OH2][Li]([OH2]1)[OH2]2.[I-].[I-]
• Title of publication: Higher hydrates of lithium chloride, lithium bromide and lithium iodide
• Authors of publication: Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• a: 7.461 ± 0.0018 Å
• b: 7.461 ± 0.0018 Å
• c: 5.459 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 263.17 ± 0.17 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 4
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0162
• Residual factor for significantly intense reflections: 0.015
• Weighted residual factors for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No