Information card for entry 2020960

Structure parameters

• Chemical name: Lithium bromide trihydrate
• Formula: Br H6 Li O3
• Calculated formula: Br H6 Li O3
• SMILES: Br[Li]12([OH2])([OH2])[Br][Li]([OH2]1)[OH2]2.O.O
• 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: 7.2785 ± 0.0017 Å
• b: 11.088 ± 0.003 Å
• c: 5.687 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 459 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No